1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

C15H17FN2O — CID 60961935

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccc(C)n2)cc1F
InChIInChI=1S/C15H17FN2O/c1-11-4-3-5-13(18-11)10-17-9-12-6-7-15(19-2)14(16)8-12/h3-8,17H,9-10H2,1-2H3
InChIKeyPOJYHSQJBUKSGP-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.83
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 60961935) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID60961935
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccc(C)n2)cc1F
InChIInChI=1S/C15H17FN2O/c1-11-4-3-5-13(18-11)10-17-9-12-6-7-15(19-2)14(16)8-12/h3-8,17H,9-10H2,1-2H3
InChIKeyPOJYHSQJBUKSGP-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 78895511
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (CID 60961935) is 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is COc1ccc(CNCc2cccc(C)n2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is POJYHSQJBUKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-4-3-5-13(18-11)10-17-9-12-6-7-15(19-2)14(16)8-12/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 260.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 60961935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).