1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine

C13H21Cl2N3 — CID 55227719

IUPAC1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
SMILESCN(C)CCN(C)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H21Cl2N3/c1-17(2)4-5-18(3)13(9-16)10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9,16H2,1-3H3
InChIKeyTWIHRMZWONIIDR-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.49
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine (PubChem CID 55227719) has the molecular formula C13H21Cl2N3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
PubChem CID55227719
Molecular FormulaC13H21Cl2N3
Molecular Weight290.24 g/mol
Exact Mass289.11
IUPAC Name1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
SMILESCN(C)CCN(C)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H21Cl2N3/c1-17(2)4-5-18(3)13(9-16)10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9,16H2,1-3H3
InChIKeyTWIHRMZWONIIDR-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 54919770
N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 62860754
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 114453406
N-[2-(dimethylamino)ethyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115350857
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
2-(3,5-dichlorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011513
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine (CID 55227719) is 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine is CN(C)CCN(C)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is TWIHRMZWONIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3/c1-17(2)4-5-18(3)13(9-16)10-6-11(14)8-12(15)7-10/h6-8,13H,4-5,9,16H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 290.24 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 55227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).