2-chloro-N,3,4-trimethylaniline

C9H12ClN — CID 130291337

IUPAC2-chloro-N,3,4-trimethylaniline
SMILESCNc1ccc(C)c(C)c1Cl
InChIInChI=1S/C9H12ClN/c1-6-4-5-8(11-3)9(10)7(6)2/h4-5,11H,1-3H3
InChIKeyBCQWDCUWVZIQIZ-UHFFFAOYSA-N
MW169.65 g/mol
LogP3.00
Rot. Bonds1

About 2-chloro-N,3,4-trimethylaniline

2-chloro-N,3,4-trimethylaniline (PubChem CID 130291337) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 2-chloro-N,3,4-trimethylaniline.

Molecular Properties

Compound Name2-chloro-N,3,4-trimethylaniline
PubChem CID130291337
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name2-chloro-N,3,4-trimethylaniline
SMILESCNc1ccc(C)c(C)c1Cl
InChIInChI=1S/C9H12ClN/c1-6-4-5-8(11-3)9(10)7(6)2/h4-5,11H,1-3H3
InChIKeyBCQWDCUWVZIQIZ-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-6-(methylamino)phenol;ethane
CID 143680680
3-[3-chloro-2-methyl-4-(methylamino)phenyl]propanal
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6-chloro-N,2,3-trimethylaniline
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2,4-dichloro-3-ethyl-N-methylaniline
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3,4-dichloro-2-fluoro-N-methylaniline
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N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
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CID 12589570
1-benzyl-2-chloro-3,4-dimethylbenzene
CID 141001175
N,2,3,7-tetramethyl-1H-indol-4-amine
CID 118600283
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
CID 67276890
CID 67276890
2-chloro-6-fluoro-N,3-dimethylaniline
CID 174640789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,3,4-trimethylaniline?
The IUPAC name of 2-chloro-N,3,4-trimethylaniline (CID 130291337) is 2-chloro-N,3,4-trimethylaniline.
What is the SMILES notation for 2-chloro-N,3,4-trimethylaniline?
The canonical SMILES for 2-chloro-N,3,4-trimethylaniline is CNc1ccc(C)c(C)c1Cl.
What is the InChIKey of 2-chloro-N,3,4-trimethylaniline?
The InChIKey is BCQWDCUWVZIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6-4-5-8(11-3)9(10)7(6)2/h4-5,11H,1-3H3.
What are the key properties of 2-chloro-N,3,4-trimethylaniline?
2-chloro-N,3,4-trimethylaniline has a molecular weight of 169.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,3,4-trimethylaniline is sourced from PubChem (CID 130291337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).