2-chloro-4-N-ethylbenzene-1,4-diamine

C8H11ClN2 — CID 68788899

IUPAC2-chloro-4-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2,10H2,1H3
InChIKeyNJHKYMHEDWGAIV-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-4-N-ethylbenzene-1,4-diamine

2-chloro-4-N-ethylbenzene-1,4-diamine (PubChem CID 68788899) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-4-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-ethylbenzene-1,4-diamine
PubChem CID68788899
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-chloro-4-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2,10H2,1H3
InChIKeyNJHKYMHEDWGAIV-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290
[2-amino-5-(ethylamino)phenyl]boronic acid
CID 68787472
4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
CID 88803762
3-bromo-4-chloro-N-ethylaniline;hydrochloride
CID 68626677
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
2-chloro-4-propylaniline
CID 19914844
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
3-chloro-N-ethyl-4-(trifluoromethoxy)aniline;hydrochloride
CID 142726739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-ethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-ethylbenzene-1,4-diamine (CID 68788899) is 2-chloro-4-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-ethylbenzene-1,4-diamine is CCNc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-N-ethylbenzene-1,4-diamine?
The InChIKey is NJHKYMHEDWGAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2,10H2,1H3.
What are the key properties of 2-chloro-4-N-ethylbenzene-1,4-diamine?
2-chloro-4-N-ethylbenzene-1,4-diamine has a molecular weight of 170.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 68788899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).