1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C17H20FNO — CID 62121979

IUPAC1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1ccc(F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-13-9-14(7-8-17(13)18)10-19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,10-12H2,1-2H3
InChIKeyTYGLQNCEJWMMCL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 62121979) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID62121979
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1ccc(F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-13-9-14(7-8-17(13)18)10-19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,10-12H2,1-2H3
InChIKeyTYGLQNCEJWMMCL-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
1-(3-bromo-4-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 115875971
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 62121979) is 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is COCc1ccccc1CNCc1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is TYGLQNCEJWMMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13-9-14(7-8-17(13)18)10-19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,10-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 273.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 62121979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).