1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine

C17H20Cl2N2 — CID 63465958

IUPAC1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyBITPCIKTPDAGKP-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 63465958) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
PubChem CID63465958
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyBITPCIKTPDAGKP-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.69
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-chloro-3-fluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465054
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63980732
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62001612
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 63431626
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine (CID 63465958) is 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine is CCc1ccc(N(C)C(CN)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is BITPCIKTPDAGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-10,16H,3,11,20H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 323.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63465958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).