(2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

C108H164Cl5FN10O5 — CID 162052636

About (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

(2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (PubChem CID 162052636) has the molecular formula C108H164Cl5FN10O5 and a molecular weight of 1878.83 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.

Molecular Properties

• Compound Name: (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
• PubChem CID: 162052636
• Molecular Formula: C108H164Cl5FN10O5
• Molecular Weight: 1878.83 g/mol
• Exact Mass: 1875.13
• IUPAC Name: (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
• SMILES: C=C(C(C)C)[C@H](CNC(C)C)c1ccc(Cl)c(C)c1.C=C(C(C)C)[C@H](CNC(C)C)c1ccc(OC)c(F)c1.CC(C)C(=O)[C@@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CCN1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/2C19H29ClN2O.2C18H27ClN2O.C17H26ClN.C17H26FNO/c2*1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;2*1-4-20-9-11-21(12-10-20)13-17(18(22)14(2)3)15-5-7-16(19)8-6-15;1-11(2)14(6)16(10-19-12(3)4)15-7-8-17(18)13(5)9-15;1-11(2)13(5)15(10-19-12(3)4)14-7-8-17(20-6)16(18)9-14/h2*5-8,14-15,18H,9-13H2,1-4H3;2*5-8,14,17H,4,9-13H2,1-3H3;7-9,11-12,16,19H,6,10H2,1-5H3;7-9,11-12,15,19H,5,10H2,1-4,6H3/t2*18-;2*17-;16-;15-/m101000/s1
• InChIKey: YYTBKILJPDMSAB-LRESNKDTSA-N
• XLogP: 22.99
• TPSA: 127.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.83
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?

The IUPAC name of (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (CID 162052636) is (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.

What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?

The canonical SMILES for (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is C=C(C(C)C)[C@H](CNC(C)C)c1ccc(Cl)c(C)c1.C=C(C(C)C)[C@H](CNC(C)C)c1ccc(OC)c(F)c1.CC(C)C(=O)[C@@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CCN1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.

What is the InChIKey of (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?

The InChIKey is YYTBKILJPDMSAB-LRESNKDTSA-N. The full InChI is InChI=1S/2C19H29ClN2O.2C18H27ClN2O.C17H26ClN.C17H26FNO/c2*1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;2*1-4-20-9-11-21(12-10-20)13-17(18(22)14(2)3)15-5-7-16(19)8-6-15;1-11(2)14(6)16(10-19-12(3)4)15-7-8-17(18)13(5)9-15;1-11(2)13(5)15(10-19-12(3)4)14-7-8-17(20-6)16(18)9-14/h2*5-8,14-15,18H,9-13H2,1-4H3;2*5-8,14,17H,4,9-13H2,1-3H3;7-9,11-12,16,19H,6,10H2,1-5H3;7-9,11-12,15,19H,5,10H2,1-4,6H3/t2*18-;2*17-;16-;15-/m101000/s1.

What are the key properties of (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?

(2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine has a molecular weight of 1878.83 g/mol, XLogP of 22.99, 37 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-chloro-3-methylphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 162052636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).