3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine

C16H25FN2 — CID 62644958

IUPAC3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-18-16(14-8-4-5-9-15(14)17)10-13-19-11-6-2-3-7-12-19/h4-5,8-9,16,18H,2-3,6-7,10-13H2,1H3
InChIKeyGNANQMVPPRJRFU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds5

About 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine

3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62644958) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62644958
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-18-16(14-8-4-5-9-15(14)17)10-13-19-11-6-2-3-7-12-19/h4-5,8-9,16,18H,2-3,6-7,10-13H2,1H3
InChIKeyGNANQMVPPRJRFU-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954962

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine (CID 62644958) is 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine is CNC(CCN1CCCCCC1)c1ccccc1F.
What is the InChIKey of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is GNANQMVPPRJRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-18-16(14-8-4-5-9-15(14)17)10-13-19-11-6-2-3-7-12-19/h4-5,8-9,16,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine?
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62644958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).