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

C16H24F2N2 — CID 79560149

IUPAC1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-12(9-15-5-3-2-4-8-19-15)20-11-13-6-7-14(17)10-16(13)18/h6-7,10,12,15,19-20H,2-5,8-9,11H2,1H3
InChIKeyPFLKCGVRHCYARW-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.37
Rot. Bonds5

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

1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine (PubChem CID 79560149) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
PubChem CID79560149
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-12(9-15-5-3-2-4-8-19-15)20-11-13-6-7-14(17)10-16(13)18/h6-7,10,12,15,19-20H,2-5,8-9,11H2,1H3
InChIKeyPFLKCGVRHCYARW-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

1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
1-(azepan-2-yl)-N-(1,3-benzodioxol-4-ylmethyl)propan-2-amine
CID 79540466
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine (CID 79560149) is 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine is CC(CC1CCCCCN1)NCc1ccc(F)cc1F.
What is the InChIKey of 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The InChIKey is PFLKCGVRHCYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12(9-15-5-3-2-4-8-19-15)20-11-13-6-7-14(17)10-16(13)18/h6-7,10,12,15,19-20H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
1-(azepan-2-yl)-N-[(2,4-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-[(2,4-difluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 79560149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).