2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

C15H23Cl2N — CID 83159839

IUPAC2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H23Cl2N/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyODRVZQHIIJBIMW-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83159839) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83159839
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H23Cl2N/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyODRVZQHIIJBIMW-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 107897588
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159396
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
CID 62622579
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 107895015

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (CID 83159839) is 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is ODRVZQHIIJBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83159839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).