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

C16H25FN2 — CID 79051086

IUPAC2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C16H25FN2/c1-16(2,19-10-5-3-4-6-11-19)15(18)13-8-7-9-14(17)12-13/h7-9,12,15H,3-6,10-11,18H2,1-2H3
InChIKeyWDOOSXIDLFAPAL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.48
Rot. Bonds3

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

2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 79051086) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID79051086
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C16H25FN2/c1-16(2,19-10-5-3-4-6-11-19)15(18)13-8-7-9-14(17)12-13/h7-9,12,15H,3-6,10-11,18H2,1-2H3
InChIKeyWDOOSXIDLFAPAL-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 107128890
1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
3-(azepan-1-yl)-1-(3-fluorophenyl)-3-methylbutan-2-amine
CID 79051816
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine
CID 87582711
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine (CID 79051086) is 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine is CC(C)(C(N)c1cccc(F)c1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is WDOOSXIDLFAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,19-10-5-3-4-6-11-19)15(18)13-8-7-9-14(17)12-13/h7-9,12,15H,3-6,10-11,18H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine?
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79051086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).