N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline

C16H18FN — CID 43764440

IUPACN-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(CNc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C16H18FN/c1-11-4-6-14(8-13(11)3)10-18-15-7-5-12(2)16(17)9-15/h4-9,18H,10H2,1-3H3
InChIKeyKRFDSCYWPUKJFY-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.36
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline

N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline (PubChem CID 43764440) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
PubChem CID43764440
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(CNc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C16H18FN/c1-11-4-6-14(8-13(11)3)10-18-15-7-5-12(2)16(17)9-15/h4-9,18H,10H2,1-3H3
InChIKeyKRFDSCYWPUKJFY-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methylaniline
CID 28617768
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline (CID 43764440) is N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline is Cc1ccc(CNc2ccc(C)c(F)c2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The InChIKey is KRFDSCYWPUKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-6-14(8-13(11)3)10-18-15-7-5-12(2)16(17)9-15/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 43764440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).