1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine

C17H27ClN2 — CID 81356229

IUPAC1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(12-17-6-4-3-5-11-19-17)20-14(2)15-7-9-16(18)10-8-15/h7-10,13-14,17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,17?/m1/s1
InChIKeyKTIYXUMNBDDAFC-XOYHFGRZSA-N
MW294.87 g/mol
LogP4.30
Rot. Bonds5

About 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine

1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine (PubChem CID 81356229) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
PubChem CID81356229
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(12-17-6-4-3-5-11-19-17)20-14(2)15-7-9-16(18)10-8-15/h7-10,13-14,17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,17?/m1/s1
InChIKeyKTIYXUMNBDDAFC-XOYHFGRZSA-N
XLogP4.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine (CID 81356229) is 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine is CC(CC1CCCCCN1)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine?
The InChIKey is KTIYXUMNBDDAFC-XOYHFGRZSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(12-17-6-4-3-5-11-19-17)20-14(2)15-7-9-16(18)10-8-15/h7-10,13-14,17,19-20H,3-6,11-12H2,1-2H3/t13?,14-,17?/m1/s1.
What are the key properties of 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 81356229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).