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

C17H27FN2 — CID 79553439

IUPAC1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-14(13-17-5-3-2-4-11-20-17)19-12-10-15-6-8-16(18)9-7-15/h6-9,14,17,19-20H,2-5,10-13H2,1H3
InChIKeyBQVTVXVCVBALLF-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.27
Rot. Bonds6

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

1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 79553439) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID79553439
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-14(13-17-5-3-2-4-11-20-17)19-12-10-15-6-8-16(18)9-7-15/h6-9,14,17,19-20H,2-5,10-13H2,1H3
InChIKeyBQVTVXVCVBALLF-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 115704314
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540548
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine (CID 79553439) is 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine is CC(CC1CCCCCN1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is BQVTVXVCVBALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14(13-17-5-3-2-4-11-20-17)19-12-10-15-6-8-16(18)9-7-15/h6-9,14,17,19-20H,2-5,10-13H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 278.41 g/mol, XLogP of 3.27, 6 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-[2-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 79553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).