1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine

C16H24F2N2 — CID 79559972

IUPAC1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-12(9-14-5-3-2-4-8-19-14)20-11-13-6-7-15(17)16(18)10-13/h6-7,10,12,14,19-20H,2-5,8-9,11H2,1H3
InChIKeySFJQKCZSYLJKSX-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.37
Rot. Bonds5

About 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine

1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine (PubChem CID 79559972) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
PubChem CID79559972
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-12(9-14-5-3-2-4-8-19-14)20-11-13-6-7-15(17)16(18)10-13/h6-7,10,12,14,19-20H,2-5,8-9,11H2,1H3
InChIKeySFJQKCZSYLJKSX-UHFFFAOYSA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538390
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 79560021
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine (CID 79559972) is 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine is CC(CC1CCCCCN1)NCc1ccc(F)c(F)c1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine?
The InChIKey is SFJQKCZSYLJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12(9-14-5-3-2-4-8-19-14)20-11-13-6-7-15(17)16(18)10-13/h6-7,10,12,14,19-20H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine?
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.37, 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-[(3,4-difluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 79559972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).