4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C18H23ClN2 — CID 43741051

IUPAC4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1ccc(C)c(C(C)Nc2cc(Cl)ccc2N(C)C)c1
InChIInChI=1S/C18H23ClN2/c1-12-6-7-13(2)16(10-12)14(3)20-17-11-15(19)8-9-18(17)21(4)5/h6-11,14,20H,1-5H3
InChIKeyXCNRDEZORITEJT-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.20
Rot. Bonds4

About 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43741051) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43741051
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1ccc(C)c(C(C)Nc2cc(Cl)ccc2N(C)C)c1
InChIInChI=1S/C18H23ClN2/c1-12-6-7-13(2)16(10-12)14(3)20-17-11-15(19)8-9-18(17)21(4)5/h6-11,14,20H,1-5H3
InChIKeyXCNRDEZORITEJT-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 63992277
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-2-nitroaniline
CID 43217989
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
4-chloro-2-N-[(2,5-dimethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 63447088
2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline
CID 43126457
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160
4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741030
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43741051) is 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is Cc1ccc(C)c(C(C)Nc2cc(Cl)ccc2N(C)C)c1.
What is the InChIKey of 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is XCNRDEZORITEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12-6-7-13(2)16(10-12)14(3)20-17-11-15(19)8-9-18(17)21(4)5/h6-11,14,20H,1-5H3.
What are the key properties of 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43741051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).