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

C11H16ClN — CID 57028815

IUPAC4-chloro-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(Cl)cc1C
InChIInChI=1S/C11H16ClN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyQCCFDOCVQAZXBN-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.49
Rot. Bonds3

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

4-chloro-N,N-diethyl-2-methylaniline (PubChem CID 57028815) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-2-methylaniline
PubChem CID57028815
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name4-chloro-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(Cl)cc1C
InChIInChI=1S/C11H16ClN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyQCCFDOCVQAZXBN-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83560488
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4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
CID 20761159
6-chloro-N,N-diethyl-2-methylpyridin-3-amine
CID 82225111
2-chloro-N,N-diethyl-4-iodoaniline
CID 107606923
2-(bromomethyl)-4-chloro-N-ethyl-N-(2-methylpropyl)aniline
CID 107080090
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
5-chloro-2-[ethyl(propyl)amino]benzonitrile
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CID 114847967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-2-methylaniline?
The IUPAC name of 4-chloro-N,N-diethyl-2-methylaniline (CID 57028815) is 4-chloro-N,N-diethyl-2-methylaniline.
What is the SMILES notation for 4-chloro-N,N-diethyl-2-methylaniline?
The canonical SMILES for 4-chloro-N,N-diethyl-2-methylaniline is CCN(CC)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-N,N-diethyl-2-methylaniline?
The InChIKey is QCCFDOCVQAZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-2-methylaniline?
4-chloro-N,N-diethyl-2-methylaniline has a molecular weight of 197.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-2-methylaniline is sourced from PubChem (CID 57028815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).