1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine

C13H19Cl2N — CID 43492837

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C(C)CC
InChIInChI=1S/C13H19Cl2N/c1-4-9(3)13(16-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyJMWMTEWIFROLIU-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine

1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 43492837) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID43492837
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C(C)CC
InChIInChI=1S/C13H19Cl2N/c1-4-9(3)13(16-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyJMWMTEWIFROLIU-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 107503886
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine (CID 43492837) is 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine is CCNC(c1ccc(Cl)c(Cl)c1)C(C)CC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is JMWMTEWIFROLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-9(3)13(16-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine?
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 43492837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).