1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine

C17H29N — CID 82923146

IUPAC1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C17H29N/c1-6-15(7-2)11-17(18-5)12-16-9-8-13(3)14(4)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3
InChIKeyMOAXMRPZXSVQSZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.26
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine

1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine (PubChem CID 82923146) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
PubChem CID82923146
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C17H29N/c1-6-15(7-2)11-17(18-5)12-16-9-8-13(3)14(4)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3
InChIKeyMOAXMRPZXSVQSZ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-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-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine (CID 82923146) is 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine is CCC(CC)CC(Cc1ccc(C)c(C)c1)NC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine?
The InChIKey is MOAXMRPZXSVQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-15(7-2)11-17(18-5)12-16-9-8-13(3)14(4)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine?
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine is sourced from PubChem (CID 82923146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).