1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine

C16H26ClN — CID 113319465

IUPAC1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1cc(C)c(C)cc1Cl)C(C)C(C)C
InChIInChI=1S/C16H26ClN/c1-7-18-16(13(6)10(2)3)14-8-11(4)12(5)9-15(14)17/h8-10,13,16,18H,7H2,1-6H3
InChIKeyGOXKSZJULXLSIS-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.90
Rot. Bonds5

About 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine

1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 113319465) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID113319465
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1cc(C)c(C)cc1Cl)C(C)C(C)C
InChIInChI=1S/C16H26ClN/c1-7-18-16(13(6)10(2)3)14-8-11(4)12(5)9-15(14)17/h8-10,13,16,18H,7H2,1-6H3
InChIKeyGOXKSZJULXLSIS-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine 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

1-(2-chloro-4-fluoro-5-methylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81044916
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(2-chloro-4,5-dimethylphenyl)-(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 115484037
N-[(2-chloro-4,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115484092
N-[3-bicyclo[3.1.0]hexanyl-(2-chloro-4,5-dimethylphenyl)methyl]ethanamine
CID 115484050
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357
1-(2-chloro-4,5-dimethylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 115484152
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 113319465) is 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNC(c1cc(C)c(C)cc1Cl)C(C)C(C)C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is GOXKSZJULXLSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-7-18-16(13(6)10(2)3)14-8-11(4)12(5)9-15(14)17/h8-10,13,16,18H,7H2,1-6H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 113319465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).