N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

C16H19FN2O — CID 106755268

IUPACN-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-4-18-16(13-7-8-19-11(2)9-13)12-5-6-15(20-3)14(17)10-12/h5-10,16,18H,4H2,1-3H3
InChIKeyHVGVRBAFHALAIS-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 106755268) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID106755268
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-4-18-16(13-7-8-19-11(2)9-13)12-5-6-15(20-3)14(17)10-12/h5-10,16,18H,4H2,1-3H3
InChIKeyHVGVRBAFHALAIS-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3-fluoro-4-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79694017
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857575
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 79212686

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (CID 106755268) is N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is CCNC(c1ccnc(C)c1)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is HVGVRBAFHALAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-18-16(13-7-8-19-11(2)9-13)12-5-6-15(20-3)14(17)10-12/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 106755268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).