(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine

C15H17FN2O — CID 78978043

IUPAC(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ccccn2)cc1F
InChIInChI=1S/C15H17FN2O/c1-11(14-5-3-4-8-17-14)18-10-12-6-7-15(19-2)13(16)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyPKXVVZOKPURQES-NSHDSACASA-N
MW260.31 g/mol
LogP3.08
Rot. Bonds5

About (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 78978043) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID78978043
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ccccn2)cc1F
InChIInChI=1S/C15H17FN2O/c1-11(14-5-3-4-8-17-14)18-10-12-6-7-15(19-2)13(16)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyPKXVVZOKPURQES-NSHDSACASA-N
XLogP3.08
TPSA34.15 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine with MolForge

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Related Compounds

(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
CID 97242263
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine (CID 78978043) is (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine is COc1ccc(CN[C@@H](C)c2ccccn2)cc1F.
What is the InChIKey of (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is PKXVVZOKPURQES-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(14-5-3-4-8-17-14)18-10-12-6-7-15(19-2)13(16)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 78978043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).