1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine

C15H17FN2O — CID 62605642

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccncc2)cc1F
InChIInChI=1S/C15H17FN2O/c1-19-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-18-7-5-11/h2-7,10,13H,8-9,17H2,1H3
InChIKeyWBKZVQJBHFKRSX-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.34
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine (PubChem CID 62605642) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
PubChem CID62605642
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccncc2)cc1F
InChIInChI=1S/C15H17FN2O/c1-19-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-18-7-5-11/h2-7,10,13H,8-9,17H2,1H3
InChIKeyWBKZVQJBHFKRSX-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine (CID 62605642) is 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine is COc1ccc(CC(N)Cc2ccncc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine?
The InChIKey is WBKZVQJBHFKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-18-7-5-11/h2-7,10,13H,8-9,17H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine has a molecular weight of 260.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 62605642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).