N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline

C15H16ClN — CID 106816096

IUPACN-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClN/c1-11-3-7-14(8-4-11)17-10-13-6-5-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyFDFAZGNPYCFQSM-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.57
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline

N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline (PubChem CID 106816096) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
PubChem CID106816096
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClN/c1-11-3-7-14(8-4-11)17-10-13-6-5-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyFDFAZGNPYCFQSM-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-arsoroso-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 158255701
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
N-[(3-chloro-4-methylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 106816511
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229
2-chloro-5-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816335
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline (CID 106816096) is N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline?
The InChIKey is FDFAZGNPYCFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11-3-7-14(8-4-11)17-10-13-6-5-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline?
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline has a molecular weight of 245.75 g/mol, XLogP of 4.57, 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-methylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 106816096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).