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

C17H27ClN2 — CID 81353013

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N[C@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-13(2)20-11-4-5-17(10-12-20)19-14(3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3/t14-,17?/m1/s1
InChIKeyRLLMFHVDUNDDST-XPCCGILXSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds4

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

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine (PubChem CID 81353013) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
PubChem CID81353013
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N[C@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-13(2)20-11-4-5-17(10-12-20)19-14(3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3/t14-,17?/m1/s1
InChIKeyRLLMFHVDUNDDST-XPCCGILXSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073904
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978841

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine (CID 81353013) is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(N[C@H](C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is RLLMFHVDUNDDST-XPCCGILXSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)20-11-4-5-17(10-12-20)19-14(3)15-6-8-16(18)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3/t14-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 81353013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).