1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine

C16H18FN — CID 43221037

IUPAC1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2F)cc1C
InChIInChI=1S/C16H18FN/c1-12-7-8-14(9-13(12)2)10-18-11-15-5-3-4-6-16(15)17/h3-9,18H,10-11H2,1-2H3
InChIKeyMZTVLCPLDCLDRZ-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.73
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine

1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine (PubChem CID 43221037) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
PubChem CID43221037
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2F)cc1C
InChIInChI=1S/C16H18FN/c1-12-7-8-14(9-13(12)2)10-18-11-15-5-3-4-6-16(15)17/h3-9,18H,10-11H2,1-2H3
InChIKeyMZTVLCPLDCLDRZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
CID 84753702
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28617291
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
N-[(2-fluorophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107414
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43224384
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine (CID 43221037) is 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine is Cc1ccc(CNCc2ccccc2F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The InChIKey is MZTVLCPLDCLDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-7-8-14(9-13(12)2)10-18-11-15-5-3-4-6-16(15)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine?
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine has a molecular weight of 243.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 43221037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).