N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine

C16H25ClN2 — CID 65073026

IUPACN-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1ccc(Cl)cc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-11-14(17)7-6-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyCNGOTCVQHWBXEA-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.32
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine

N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65073026) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65073026
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1ccc(Cl)cc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-11-14(17)7-6-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyCNGOTCVQHWBXEA-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
N-(3-bromo-5-chloro-2-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65074357
4-fluoro-3-[(1-propan-2-ylazepan-4-yl)amino]benzoic acid
CID 65074474
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine (CID 65073026) is N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine is Cc1ccc(Cl)cc1NC1CCCN(C(C)C)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is CNGOTCVQHWBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-11-14(17)7-6-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 280.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).