2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine

C16H19ClN2 — CID 115550477

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11-5-4-6-15(18)16(11)19(3)12(2)13-7-9-14(17)10-8-13/h4-10,12H,18H2,1-3H3
InChIKeyCRIMHUAQIBOIQF-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.43
Rot. Bonds3

About 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine

2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115550477) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115550477
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11-5-4-6-15(18)16(11)19(3)12(2)13-7-9-14(17)10-8-13/h4-10,12H,18H2,1-3H3
InChIKeyCRIMHUAQIBOIQF-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.43
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

2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550478
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
CID 107105687
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126020
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 62978144
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
CID 63565693

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine (CID 115550477) is 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is CRIMHUAQIBOIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-5-4-6-15(18)16(11)19(3)12(2)13-7-9-14(17)10-8-13/h4-10,12H,18H2,1-3H3.
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115550477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).