N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine

C16H19FN2O — CID 105065219

IUPACN-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccncc1OC
InChIInChI=1S/C16H19FN2O/c1-3-8-19-16(12-5-4-6-13(17)10-12)14-7-9-18-11-15(14)20-2/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyBYIMBXGTQZVVHH-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.32
Rot. Bonds6

About N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine

N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 105065219) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID105065219
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccncc1OC
InChIInChI=1S/C16H19FN2O/c1-3-8-19-16(12-5-4-6-13(17)10-12)14-7-9-18-11-15(14)20-2/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyBYIMBXGTQZVVHH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43497130
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105065275

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine (CID 105065219) is N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ccncc1OC.
What is the InChIKey of N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is BYIMBXGTQZVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-8-19-16(12-5-4-6-13(17)10-12)14-7-9-18-11-15(14)20-2/h4-7,9-11,16,19H,3,8H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105065219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).