1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine

C16H23ClN2 — CID 66767419

IUPAC1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine
SMILESC=C(C(C)C)[C@@H](CN1CC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-11(2)12(3)16(10-19-8-15(18)9-19)13-4-6-14(17)7-5-13/h4-7,11,15-16H,3,8-10,18H2,1-2H3/t16-/m1/s1
InChIKeyQRBVTXDYEODMKG-MRXNPFEDSA-N
MW278.83 g/mol
LogP3.28
Rot. Bonds5

About 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine

1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine (PubChem CID 66767419) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine
PubChem CID66767419
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine
SMILESC=C(C(C)C)[C@@H](CN1CC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-11(2)12(3)16(10-19-8-15(18)9-19)13-4-6-14(17)7-5-13/h4-7,11,15-16H,3,8-10,18H2,1-2H3/t16-/m1/s1
InChIKeyQRBVTXDYEODMKG-MRXNPFEDSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine (CID 66767419) is 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine is C=C(C(C)C)[C@@H](CN1CC(N)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine?
The InChIKey is QRBVTXDYEODMKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11(2)12(3)16(10-19-8-15(18)9-19)13-4-6-14(17)7-5-13/h4-7,11,15-16H,3,8-10,18H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine?
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine is sourced from PubChem (CID 66767419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).