5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C16H24ClN — CID 79607300

IUPAC5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-13(2)12-18-9-5-6-14(3)10-15-7-4-8-16(17)11-15/h4,6-8,11,13,18H,5,9-10,12H2,1-3H3
InChIKeySQKYLCKYFIHKED-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.46
Rot. Bonds7

About 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607300) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607300
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-13(2)12-18-9-5-6-14(3)10-15-7-4-8-16(17)11-15/h4,6-8,11,13,18H,5,9-10,12H2,1-3H3
InChIKeySQKYLCKYFIHKED-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
1-chloro-3-[(2E,4Z)-2-methylhepta-2,4-dienyl]benzene
CID 144850681
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
(E)-N-(2-methylpropyl)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546333
1-(3-chlorophenyl)propan-2-one
CID 2734097
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607300) is 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is SQKYLCKYFIHKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-13(2)12-18-9-5-6-14(3)10-15-7-4-8-16(17)11-15/h4,6-8,11,13,18H,5,9-10,12H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).