4-chloro-N,N,2-trimethylaniline;ethane

C11H18ClN — CID 143418789

IUPAC4-chloro-N,N,2-trimethylaniline;ethane
SMILESCC.Cc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C9H12ClN.C2H6/c1-7-6-8(10)4-5-9(7)11(2)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyZBBRUBYCADGLCM-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.74
Rot. Bonds1

About 4-chloro-N,N,2-trimethylaniline;ethane

4-chloro-N,N,2-trimethylaniline;ethane (PubChem CID 143418789) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 4-chloro-N,N,2-trimethylaniline;ethane.

Molecular Properties

Compound Name4-chloro-N,N,2-trimethylaniline;ethane
PubChem CID143418789
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name4-chloro-N,N,2-trimethylaniline;ethane
SMILESCC.Cc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C9H12ClN.C2H6/c1-7-6-8(10)4-5-9(7)11(2)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyZBBRUBYCADGLCM-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
4-chloro-N,N-bis(2-chloroethyl)-2-methylaniline
CID 98591830
4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029080
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
CID 143018944
4-chloro-2-ethenyl-N,N-dimethylaniline
CID 143235220
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
5-chloro-N,N,2,4-tetramethylaniline
CID 11959023
2-chloro-N,N,4-trimethylaniline
CID 4099980
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
(Z)-1-(N-amino-4-chloro-2-methylanilino)-3-fluoroprop-1-en-2-amine;ethane
CID 145240880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,2-trimethylaniline;ethane?
The IUPAC name of 4-chloro-N,N,2-trimethylaniline;ethane (CID 143418789) is 4-chloro-N,N,2-trimethylaniline;ethane.
What is the SMILES notation for 4-chloro-N,N,2-trimethylaniline;ethane?
The canonical SMILES for 4-chloro-N,N,2-trimethylaniline;ethane is CC.Cc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 4-chloro-N,N,2-trimethylaniline;ethane?
The InChIKey is ZBBRUBYCADGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.C2H6/c1-7-6-8(10)4-5-9(7)11(2)3;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of 4-chloro-N,N,2-trimethylaniline;ethane?
4-chloro-N,N,2-trimethylaniline;ethane has a molecular weight of 199.72 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,2-trimethylaniline;ethane is sourced from PubChem (CID 143418789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).