1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol

C14H23NO — CID 66039376

IUPAC1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
SMILESCCNCC(C)(O)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-6-15-9-14(5,16)13-8-11(3)10(2)7-12(13)4/h7-8,15-16H,6,9H2,1-5H3
InChIKeyBOZGQQLDJRZPME-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.43
Rot. Bonds4

About 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol

1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol (PubChem CID 66039376) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
PubChem CID66039376
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
SMILESCCNCC(C)(O)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-6-15-9-14(5,16)13-8-11(3)10(2)7-12(13)4/h7-8,15-16H,6,9H2,1-5H3
InChIKeyBOZGQQLDJRZPME-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-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 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol (CID 66039376) is 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol is CCNCC(C)(O)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol?
The InChIKey is BOZGQQLDJRZPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-15-9-14(5,16)13-8-11(3)10(2)7-12(13)4/h7-8,15-16H,6,9H2,1-5H3.
What are the key properties of 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol?
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 66039376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).