1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine

C17H29NO — CID 116721264

IUPAC1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C17H29NO/c1-7-19-17(12(2)3)16(18-6)11-15-9-8-13(4)14(5)10-15/h8-10,12,16-18H,7,11H2,1-6H3
InChIKeyJBEBDALZDLKCII-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.50
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine

1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine (PubChem CID 116721264) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
PubChem CID116721264
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C17H29NO/c1-7-19-17(12(2)3)16(18-6)11-15-9-8-13(4)14(5)10-15/h8-10,12,16-18H,7,11H2,1-6H3
InChIKeyJBEBDALZDLKCII-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-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)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540465
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
CID 116719832
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
3-ethoxy-N,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116721300

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine (CID 116721264) is 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine is CCOC(C(C)C)C(Cc1ccc(C)c(C)c1)NC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The InChIKey is JBEBDALZDLKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-19-17(12(2)3)16(18-6)11-15-9-8-13(4)14(5)10-15/h8-10,12,16-18H,7,11H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116721264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).