4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine

C19H17FN2O — CID 123676377

IUPAC4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine
SMILESNc1cnccc1Cc1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O/c20-17-7-6-16(10-15-8-9-22-12-18(15)21)19(11-17)23-13-14-4-2-1-3-5-14/h1-9,11-12H,10,13,21H2
InChIKeyWYQBGCPZAZCNGM-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.97
Rot. Bonds5

About 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine

4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 123676377) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine
PubChem CID123676377
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine
SMILESNc1cnccc1Cc1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O/c20-17-7-6-16(10-15-8-9-22-12-18(15)21)19(11-17)23-13-14-4-2-1-3-5-14/h1-9,11-12H,10,13,21H2
InChIKeyWYQBGCPZAZCNGM-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
4-(4-fluoro-2-phenylmethoxyphenyl)-N-methylpyridin-3-amine
CID 70663307
2-[(3-amino-4-pyridinyl)methoxy]phenol
CID 105469628
4-[(4-fluorophenoxy)methyl]pyridin-3-amine
CID 105472082
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
3-phenylmethoxy-4-propylpyridine
CID 154694939
CID 91468453
CID 91468453
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine (CID 123676377) is 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine is Nc1cnccc1Cc1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is WYQBGCPZAZCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-7-6-16(10-15-8-9-22-12-18(15)21)19(11-17)23-13-14-4-2-1-3-5-14/h1-9,11-12H,10,13,21H2.
What are the key properties of 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine?
4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 308.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 123676377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).