5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline

C15H16ClN — CID 28553559

IUPAC5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H16ClN/c1-11-4-3-5-13(8-11)10-17-15-9-14(16)7-6-12(15)2/h3-9,17H,10H2,1-2H3
InChIKeyIPXNLVGBJPCFDR-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline

5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 28553559) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID28553559
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H16ClN/c1-11-4-3-5-13(8-11)10-17-15-9-14(16)7-6-12(15)2/h3-9,17H,10H2,1-2H3
InChIKeyIPXNLVGBJPCFDR-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

N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
5-chloro-N-[(3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43231643
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-5-chloro-2-methylaniline
CID 126127108
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline (CID 28553559) is 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CNc2cc(Cl)ccc2C)c1.
What is the InChIKey of 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is IPXNLVGBJPCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11-4-3-5-13(8-11)10-17-15-9-14(16)7-6-12(15)2/h3-9,17H,10H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline?
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline 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 5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 28553559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).