2-chloro-4,6-diethyl-N-methylaniline

C11H16ClN — CID 21161258

IUPAC2-chloro-4,6-diethyl-N-methylaniline
SMILESCCc1cc(Cl)c(NC)c(CC)c1
InChIInChI=1S/C11H16ClN/c1-4-8-6-9(5-2)11(13-3)10(12)7-8/h6-7,13H,4-5H2,1-3H3
InChIKeyWHZOGYOIZMTCKI-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-4,6-diethyl-N-methylaniline

2-chloro-4,6-diethyl-N-methylaniline (PubChem CID 21161258) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-4,6-diethyl-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4,6-diethyl-N-methylaniline
PubChem CID21161258
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-4,6-diethyl-N-methylaniline
SMILESCCc1cc(Cl)c(NC)c(CC)c1
InChIInChI=1S/C11H16ClN/c1-4-8-6-9(5-2)11(13-3)10(12)7-8/h6-7,13H,4-5H2,1-3H3
InChIKeyWHZOGYOIZMTCKI-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4,6-diethyl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
CID 148992984
1,3-bis(2,4,6-triethylphenyl)thiourea
CID 156865136
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441227
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
3,5-diethyl-2-methylaniline
CID 105432272
2,4,6-triethylbenzoyl iodide
CID 139959913
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
3-(3-chloro-5-ethyl-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117395228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diethyl-N-methylaniline?
The IUPAC name of 2-chloro-4,6-diethyl-N-methylaniline (CID 21161258) is 2-chloro-4,6-diethyl-N-methylaniline.
What is the SMILES notation for 2-chloro-4,6-diethyl-N-methylaniline?
The canonical SMILES for 2-chloro-4,6-diethyl-N-methylaniline is CCc1cc(Cl)c(NC)c(CC)c1.
What is the InChIKey of 2-chloro-4,6-diethyl-N-methylaniline?
The InChIKey is WHZOGYOIZMTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-8-6-9(5-2)11(13-3)10(12)7-8/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4,6-diethyl-N-methylaniline?
2-chloro-4,6-diethyl-N-methylaniline has a molecular weight of 197.71 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-diethyl-N-methylaniline is sourced from PubChem (CID 21161258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).