3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline

C15H15Cl2N — CID 55198820

IUPAC3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C15H15Cl2N/c1-10-4-3-5-12(11(10)2)9-18-15-7-13(16)6-14(17)8-15/h3-8,18H,9H2,1-2H3
InChIKeyKSQDCWVFIBYQJM-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.22
Rot. Bonds3

About 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline

3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline (PubChem CID 55198820) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
PubChem CID55198820
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C15H15Cl2N/c1-10-4-3-5-12(11(10)2)9-18-15-7-13(16)6-14(17)8-15/h3-8,18H,9H2,1-2H3
InChIKeyKSQDCWVFIBYQJM-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
2-[(3-chloro-5-fluoroanilino)methyl]-6-methylphenol
CID 113351702
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-nitroaniline
CID 63429420
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline (CID 55198820) is 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline is Cc1cccc(CNc2cc(Cl)cc(Cl)c2)c1C.
What is the InChIKey of 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline?
The InChIKey is KSQDCWVFIBYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-4-3-5-12(11(10)2)9-18-15-7-13(16)6-14(17)8-15/h3-8,18H,9H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline?
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline has a molecular weight of 280.20 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 55198820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).