7-[(4-fluorophenyl)methyl]azepan-2-amine

C13H19FN2 — CID 173232788

IUPAC7-[(4-fluorophenyl)methyl]azepan-2-amine
SMILESNC1CCCCC(Cc2ccc(F)cc2)N1
InChIInChI=1S/C13H19FN2/c14-11-7-5-10(6-8-11)9-12-3-1-2-4-13(15)16-12/h5-8,12-13,16H,1-4,9,15H2
InChIKeyGJJNTDMRFGLHJS-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.19
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]azepan-2-amine

7-[(4-fluorophenyl)methyl]azepan-2-amine (PubChem CID 173232788) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]azepan-2-amine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]azepan-2-amine
PubChem CID173232788
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name7-[(4-fluorophenyl)methyl]azepan-2-amine
SMILESNC1CCCCC(Cc2ccc(F)cc2)N1
InChIInChI=1S/C13H19FN2/c14-11-7-5-10(6-8-11)9-12-3-1-2-4-13(15)16-12/h5-8,12-13,16H,1-4,9,15H2
InChIKeyGJJNTDMRFGLHJS-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[(4-fluorophenyl)methyl]azepan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 146634848
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
cyclopentanamine;(4-fluorophenyl)methanamine
CID 70105536
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117
carbanide;bis(1-(cyclopentylmethyl)-4-fluorobenzene);dichlorozirconium(2+)
CID 162298590
2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185958
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
2-[(3,5-difluorophenyl)methyl]-6-methylpiperidine
CID 106781875
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 22287007
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 170991026
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]azepan-2-amine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]azepan-2-amine (CID 173232788) is 7-[(4-fluorophenyl)methyl]azepan-2-amine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]azepan-2-amine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]azepan-2-amine is NC1CCCCC(Cc2ccc(F)cc2)N1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]azepan-2-amine?
The InChIKey is GJJNTDMRFGLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-11-7-5-10(6-8-11)9-12-3-1-2-4-13(15)16-12/h5-8,12-13,16H,1-4,9,15H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]azepan-2-amine?
7-[(4-fluorophenyl)methyl]azepan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]azepan-2-amine is sourced from PubChem (CID 173232788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).