1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

C16H19FN2O — CID 114871373

IUPAC1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccnc1OC)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-3-15(12-6-4-8-14(17)10-12)19-11-13-7-5-9-18-16(13)20-2/h4-10,15,19H,3,11H2,1-2H3
InChIKeyAMOOIRUEZNYTLF-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.47
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 114871373) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID114871373
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccnc1OC)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-3-15(12-6-4-8-14(17)10-12)19-11-13-7-5-9-18-16(13)20-2/h4-10,15,19H,3,11H2,1-2H3
InChIKeyAMOOIRUEZNYTLF-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 60858171
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871455
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 114871373) is 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is CCC(NCc1cccnc1OC)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is AMOOIRUEZNYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-15(12-6-4-8-14(17)10-12)19-11-13-7-5-9-18-16(13)20-2/h4-10,15,19H,3,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114871373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).