3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine

C18H22FN3 — CID 99928446

IUPAC3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CCCCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H22FN3/c19-16-8-4-6-14(12-16)17-9-2-1-3-11-22(17)13-15-7-5-10-21-18(15)20/h4-8,10,12,17H,1-3,9,11,13H2,(H2,20,21)/t17-/m0/s1
InChIKeyAWNUNOMNQZSAMF-KRWDZBQOSA-N
MW299.39 g/mol
LogP3.92
Rot. Bonds3

About 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine

3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine (PubChem CID 99928446) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
PubChem CID99928446
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CCCCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H22FN3/c19-16-8-4-6-14(12-16)17-9-2-1-3-11-22(17)13-15-7-5-10-21-18(15)20/h4-8,10,12,17H,1-3,9,11,13H2,(H2,20,21)/t17-/m0/s1
InChIKeyAWNUNOMNQZSAMF-KRWDZBQOSA-N
XLogP3.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-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

2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperidine
CID 99935057
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925
5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26332806

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine (CID 99928446) is 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine is Nc1ncccc1CN1CCCCC[C@H]1c1cccc(F)c1.
What is the InChIKey of 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine?
The InChIKey is AWNUNOMNQZSAMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22FN3/c19-16-8-4-6-14(12-16)17-9-2-1-3-11-22(17)13-15-7-5-10-21-18(15)20/h4-8,10,12,17H,1-3,9,11,13H2,(H2,20,21)/t17-/m0/s1.
What are the key properties of 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine?
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine has a molecular weight of 299.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 99928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).