1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C15H24Cl2N2 — CID 79061036

IUPAC1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C15H24Cl2N2/c1-6-15(7-2,19(4)5)14(18-3)11-8-9-12(16)13(17)10-11/h8-10,14,18H,6-7H2,1-5H3
InChIKeyAZHLTGCFZQTYHQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.37
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 79061036) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID79061036
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C15H24Cl2N2/c1-6-15(7-2,19(4)5)14(18-3)11-8-9-12(16)13(17)10-11/h8-10,14,18H,6-7H2,1-5H3
InChIKeyAZHLTGCFZQTYHQ-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
CID 79058618
1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 105395177
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(4-chloro-3-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79698267
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79700151
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 79061036) is 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccc(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is AZHLTGCFZQTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-6-15(7-2,19(4)5)14(18-3)11-8-9-12(16)13(17)10-11/h8-10,14,18H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 303.28 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79061036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).