1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

C17H21ClN2 — CID 62002195

IUPAC1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyIDYUZIFNIMKURR-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62002195) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62002195
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyIDYUZIFNIMKURR-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63404268
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62003703
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
3-[[2-amino-1-(4-methylphenyl)ethyl]-ethylamino]propanenitrile
CID 55016365
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 110826249

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 62002195) is 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is IDYUZIFNIMKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62002195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).