1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine

C19H24FN3 — CID 84753243

IUPAC1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cccnc2)cc1N1CCCCCC1
InChIInChI=1S/C19H24FN3/c20-18-8-7-16(13-22-15-17-6-5-9-21-14-17)12-19(18)23-10-3-1-2-4-11-23/h5-9,12,14,22H,1-4,10-11,13,15H2
InChIKeyHQFZXOOXHUKNJQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine

1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 84753243) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID84753243
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cccnc2)cc1N1CCCCCC1
InChIInChI=1S/C19H24FN3/c20-18-8-7-16(13-22-15-17-6-5-9-21-14-17)12-19(18)23-10-3-1-2-4-11-23/h5-9,12,14,22H,1-4,10-11,13,15H2
InChIKeyHQFZXOOXHUKNJQ-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine 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

N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
CID 167840965
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055044
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine (CID 84753243) is 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine is Fc1ccc(CNCc2cccnc2)cc1N1CCCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is HQFZXOOXHUKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c20-18-8-7-16(13-22-15-17-6-5-9-21-14-17)12-19(18)23-10-3-1-2-4-11-23/h5-9,12,14,22H,1-4,10-11,13,15H2.
What are the key properties of 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine?
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 313.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 84753243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).