1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine

C12H17Cl2N — CID 62790364

IUPAC1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-6-11(15-4-2)9-7-5-8-10(13)12(9)14/h5,7-8,11,15H,3-4,6H2,1-2H3
InChIKeyCBOJIINWULXQKM-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.44
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine

1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine (PubChem CID 62790364) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
PubChem CID62790364
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-6-11(15-4-2)9-7-5-8-10(13)12(9)14/h5,7-8,11,15H,3-4,6H2,1-2H3
InChIKeyCBOJIINWULXQKM-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine (CID 62790364) is 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine?
The InChIKey is CBOJIINWULXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-6-11(15-4-2)9-7-5-8-10(13)12(9)14/h5,7-8,11,15H,3-4,6H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine?
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 62790364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).