1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine

C17H29N — CID 105028600

IUPAC1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-6-18-17(12-7-9-13(2)3)16-11-8-10-14(4)15(16)5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3
InChIKeyLYDMPDLLYXUIQA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine

1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 105028600) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID105028600
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-6-18-17(12-7-9-13(2)3)16-11-8-10-14(4)15(16)5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3
InChIKeyLYDMPDLLYXUIQA-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-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

N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine (CID 105028600) is 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is LYDMPDLLYXUIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-18-17(12-7-9-13(2)3)16-11-8-10-14(4)15(16)5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine?
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 105028600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).