3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine

C14H15ClN2 — CID 23385975

IUPAC3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2/c1-2-17(13-8-6-11(15)7-9-13)14-5-3-4-12(16)10-14/h3-10H,2,16H2,1H3
InChIKeySOVXWKJVEHJXFD-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.08
Rot. Bonds3

About 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine

3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine (PubChem CID 23385975) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine
PubChem CID23385975
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2/c1-2-17(13-8-6-11(15)7-9-13)14-5-3-4-12(16)10-14/h3-10H,2,16H2,1H3
InChIKeySOVXWKJVEHJXFD-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.08
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-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313
3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
2-(N-(3-aminophenyl)anilino)ethanol
CID 150629525
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 107306757
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine (CID 23385975) is 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine is CCN(c1ccc(Cl)cc1)c1cccc(N)c1.
What is the InChIKey of 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine?
The InChIKey is SOVXWKJVEHJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-2-17(13-8-6-11(15)7-9-13)14-5-3-4-12(16)10-14/h3-10H,2,16H2,1H3.
What are the key properties of 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine?
3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 23385975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).