N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline

C15H15ClFN — CID 81144106

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8,18H,9H2,1-2H3
InChIKeyNAADZCSAXPPKAU-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline

N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline (PubChem CID 81144106) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
PubChem CID81144106
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8,18H,9H2,1-2H3
InChIKeyNAADZCSAXPPKAU-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 81144509
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline (CID 81144106) is N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ccc(F)c(Cl)c2)cc1C.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The InChIKey is NAADZCSAXPPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-15(17)14(16)8-12/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline has a molecular weight of 263.74 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 81144106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).