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

C17H27FN2 — CID 81379842

IUPAC1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-13(12-15-8-4-3-7-11-19-15)20-14(2)16-9-5-6-10-17(16)18/h5-6,9-10,13-15,19-20H,3-4,7-8,11-12H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyRMSGTDBJFWELID-SHARSMKWSA-N
MW278.41 g/mol
LogP3.79
Rot. Bonds5

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

1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 81379842) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
PubChem CID81379842
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-13(12-15-8-4-3-7-11-19-15)20-14(2)16-9-5-6-10-17(16)18/h5-6,9-10,13-15,19-20H,3-4,7-8,11-12H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyRMSGTDBJFWELID-SHARSMKWSA-N
XLogP3.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79538021
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine (CID 81379842) is 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine is CC(CC1CCCCCN1)N[C@H](C)c1ccccc1F.
What is the InChIKey of 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is RMSGTDBJFWELID-SHARSMKWSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(12-15-8-4-3-7-11-19-15)20-14(2)16-9-5-6-10-17(16)18/h5-6,9-10,13-15,19-20H,3-4,7-8,11-12H2,1-2H3/t13?,14-,15?/m1/s1.
What are the key properties of 1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 278.41 g/mol, XLogP of 3.79, 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-(2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 81379842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).