4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline

C14H15FN2O — CID 114838475

IUPAC4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(NCc2ccc(C)cn2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-10-3-4-12(16-8-10)9-17-11-5-6-13(15)14(7-11)18-2/h3-8,17H,9H2,1-2H3
InChIKeyAUQVXWQEEYMQFK-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.15
Rot. Bonds4

About 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline

4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 114838475) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID114838475
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(NCc2ccc(C)cn2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-10-3-4-12(16-8-10)9-17-11-5-6-13(15)14(7-11)18-2/h3-8,17H,9H2,1-2H3
InChIKeyAUQVXWQEEYMQFK-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 81312578
N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine
CID 81312291
4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
CID 79479390
4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 114839543
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 114838475) is 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is COc1cc(NCc2ccc(C)cn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is AUQVXWQEEYMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-3-4-12(16-8-10)9-17-11-5-6-13(15)14(7-11)18-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 246.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 114838475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).