3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol

C17H29NO — CID 104926046

IUPAC3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCc1cc(C)cc(C(C)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-12-9-13(2)11-15(10-12)14(3)18-16(7-8-19)17(4,5)6/h9-11,14,16,18-19H,7-8H2,1-6H3
InChIKeyOYCOWMWPRFPAAW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.75
Rot. Bonds5

About 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol

3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104926046) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID104926046
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCc1cc(C)cc(C(C)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-12-9-13(2)11-15(10-12)14(3)18-16(7-8-19)17(4,5)6/h9-11,14,16,18-19H,7-8H2,1-6H3
InChIKeyOYCOWMWPRFPAAW-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol (CID 104926046) is 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol is Cc1cc(C)cc(C(C)NC(CCO)C(C)(C)C)c1.
What is the InChIKey of 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is OYCOWMWPRFPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-9-13(2)11-15(10-12)14(3)18-16(7-8-19)17(4,5)6/h9-11,14,16,18-19H,7-8H2,1-6H3.
What are the key properties of 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).