1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine

C16H19FN2O — CID 28581727

IUPAC1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
SMILESCOc1c(C)cnc(CNCc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2O/c1-11-8-19-15(12(2)16(11)20-3)10-18-9-13-4-6-14(17)7-5-13/h4-8,18H,9-10H2,1-3H3
InChIKeyFFPXBYCQNPBAGF-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine

1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine (PubChem CID 28581727) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
PubChem CID28581727
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
SMILESCOc1c(C)cnc(CNCc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2O/c1-11-8-19-15(12(2)16(11)20-3)10-18-9-13-4-6-14(17)7-5-13/h4-8,18H,9-10H2,1-3H3
InChIKeyFFPXBYCQNPBAGF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
1-[3-(chloromethyl)phenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 65024867
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol
CID 134708358
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
2-(5-bromothiophen-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106047161
4-(2-chloroethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 65024346
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182695
(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81352653

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine (CID 28581727) is 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine is COc1c(C)cnc(CNCc2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is FFPXBYCQNPBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-8-19-15(12(2)16(11)20-3)10-18-9-13-4-6-14(17)7-5-13/h4-8,18H,9-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 274.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 28581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).