4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine

C18H21FN2O2 — CID 70663442

IUPAC4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1ccncc1NCC1CCCCO1
InChIInChI=1S/C18H21FN2O2/c1-22-18-10-13(19)5-6-16(18)15-7-8-20-12-17(15)21-11-14-4-2-3-9-23-14/h5-8,10,12,14,21H,2-4,9,11H2,1H3
InChIKeyCZOPERGBHPDWRC-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.88
Rot. Bonds5

About 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine

4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine (PubChem CID 70663442) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine
PubChem CID70663442
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1ccncc1NCC1CCCCO1
InChIInChI=1S/C18H21FN2O2/c1-22-18-10-13(19)5-6-16(18)15-7-8-20-12-17(15)21-11-14-4-2-3-9-23-14/h5-8,10,12,14,21H,2-4,9,11H2,1H3
InChIKeyCZOPERGBHPDWRC-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-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

4-(4-fluoro-2-methoxyphenyl)-N-methylpyridin-3-amine
CID 70663207
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]acetamide
CID 140628304
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 70663503
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine (CID 70663442) is 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine is COc1cc(F)ccc1-c1ccncc1NCC1CCCCO1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine?
The InChIKey is CZOPERGBHPDWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-22-18-10-13(19)5-6-16(18)15-7-8-20-12-17(15)21-11-14-4-2-3-9-23-14/h5-8,10,12,14,21H,2-4,9,11H2,1H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine?
4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine has a molecular weight of 316.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 70663442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).