3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine

C15H17ClN2 — CID 104833908

IUPAC3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1C)c1cccc(Cl)c1N
InChIInChI=1S/C15H17ClN2/c1-3-18(13-9-5-4-7-11(13)2)14-10-6-8-12(16)15(14)17/h4-10H,3,17H2,1-2H3
InChIKeyNBOCJVFDKBRTCQ-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.39
Rot. Bonds3

About 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine

3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine (PubChem CID 104833908) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
PubChem CID104833908
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1C)c1cccc(Cl)c1N
InChIInChI=1S/C15H17ClN2/c1-3-18(13-9-5-4-7-11(13)2)14-10-6-8-12(16)15(14)17/h4-10H,3,17H2,1-2H3
InChIKeyNBOCJVFDKBRTCQ-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
2-(bromomethyl)-3-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 107079222
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
3-chloro-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 104838684
3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
CID 43280695
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
3-N-ethyl-3-N-(2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80754221
(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944650
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine (CID 104833908) is 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine is CCN(c1ccccc1C)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine?
The InChIKey is NBOCJVFDKBRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-18(13-9-5-4-7-11(13)2)14-10-6-8-12(16)15(14)17/h4-10H,3,17H2,1-2H3.
What are the key properties of 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine?
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 104833908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).