2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol

C14H23NO — CID 82312422

IUPAC2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
SMILESCCNC(C(C)C)C(O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-5-15-13(10(2)3)14(16)12-8-6-11(4)7-9-12/h6-10,13-16H,5H2,1-4H3
InChIKeyLSPVZVXMJQBVLD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.66
Rot. Bonds5

About 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol

2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol (PubChem CID 82312422) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
PubChem CID82312422
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
SMILESCCNC(C(C)C)C(O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-5-15-13(10(2)3)14(16)12-8-6-11(4)7-9-12/h6-10,13-16H,5H2,1-4H3
InChIKeyLSPVZVXMJQBVLD-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-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

Related Compounds

2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
CID 82314724
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
3-(ethylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347443
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol (CID 82312422) is 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol is CCNC(C(C)C)C(O)c1ccc(C)cc1.
What is the InChIKey of 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol?
The InChIKey is LSPVZVXMJQBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-13(10(2)3)14(16)12-8-6-11(4)7-9-12/h6-10,13-16H,5H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol?
2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 82312422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).