N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine

C13H21ClN2 — CID 142350890

IUPACN'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCN(C)CCN(C)c1ccc(C)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-5-15(3)8-9-16(4)13-7-6-11(2)10-12(13)14/h6-7,10H,5,8-9H2,1-4H3
InChIKeyUTJXPYWLMGXMAY-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.04
Rot. Bonds5

About N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 142350890) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID142350890
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCN(C)CCN(C)c1ccc(C)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-5-15(3)8-9-16(4)13-7-6-11(2)10-12(13)14/h6-7,10H,5,8-9H2,1-4H3
InChIKeyUTJXPYWLMGXMAY-UHFFFAOYSA-N
XLogP3.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-ethyl-4-methoxy-N-methylaniline
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1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047
2-bromo-N-(2-chloroethyl)-N,4-dimethylaniline
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3-[2-[ethyl(methyl)amino]ethyl-methylamino]cyclobut-3-ene-1,2-dione;methanethiol
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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 142350890) is N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine is CCN(C)CCN(C)c1ccc(C)cc1Cl.
What is the InChIKey of N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UTJXPYWLMGXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-5-15(3)8-9-16(4)13-7-6-11(2)10-12(13)14/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 142350890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).