2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

C14H16FN3O — CID 107259143

IUPAC2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2cccc(C)n2)c(F)cc1N
InChIInChI=1S/C14H16FN3O/c1-9-4-3-5-10(18-9)8-17-13-7-14(19-2)12(16)6-11(13)15/h3-7,17H,8,16H2,1-2H3
InChIKeyWVMMQBHKXADALR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds4

About 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 107259143) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID107259143
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2cccc(C)n2)c(F)cc1N
InChIInChI=1S/C14H16FN3O/c1-9-4-3-5-10(18-9)8-17-13-7-14(19-2)12(16)6-11(13)15/h3-7,17H,8,16H2,1-2H3
InChIKeyWVMMQBHKXADALR-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 134138553
2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 134143337
4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline
CID 776843
2-[[3-(2-Fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol
CID 75385575
3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 99781821
N-[(2-fluorophenyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 63378666
4-[(3,6-difluoro-2-pyridinyl)oxy]-2-N-methylbenzene-1,2-diamine
CID 66696221
N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline
CID 91407588
3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141060072
6-fluoro-N-(2-methoxyphenyl)pyridin-3-amine
CID 175755678
(Z)-1-[6-(aminomethyl)-2-pyridinyl]-N'-[4-methyl-3-(trifluoromethoxy)phenyl]ethene-1,2-diamine
CID 177992626
N-(2-Pyridylmethyl)-O-phenetidine
CID 614999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (CID 107259143) is 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is COc1cc(NCc2cccc(C)n2)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is WVMMQBHKXADALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-4-3-5-10(18-9)8-17-13-7-14(19-2)12(16)6-11(13)15/h3-7,17H,8,16H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 107259143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).