3-amino-3-(4-ethylphenyl)butan-1-ol

C12H19NO — CID 65239511

IUPAC3-amino-3-(4-ethylphenyl)butan-1-ol
SMILESCCc1ccc(C(C)(N)CCO)cc1
InChIInChI=1S/C12H19NO/c1-3-10-4-6-11(7-5-10)12(2,13)8-9-14/h4-7,14H,3,8-9,13H2,1-2H3
InChIKeyXSJLNPBBLHTNAN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-3-(4-ethylphenyl)butan-1-ol

3-amino-3-(4-ethylphenyl)butan-1-ol (PubChem CID 65239511) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-amino-3-(4-ethylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-ethylphenyl)butan-1-ol
PubChem CID65239511
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-amino-3-(4-ethylphenyl)butan-1-ol
SMILESCCc1ccc(C(C)(N)CCO)cc1
InChIInChI=1S/C12H19NO/c1-3-10-4-6-11(7-5-10)12(2,13)8-9-14/h4-7,14H,3,8-9,13H2,1-2H3
InChIKeyXSJLNPBBLHTNAN-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(4-ethylphenyl)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-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
2-(4-ethylphenyl)-5-phenylpentan-2-amine
CID 63408465
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774402
1-tert-butyl-4-ethylbenzene
CID 157359507
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583
3-amino-3-naphthalen-2-ylbutan-1-ol
CID 65239621
(3S)-3-amino-3-(3,5-dimethylphenyl)butan-1-ol
CID 131048662

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethylphenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(4-ethylphenyl)butan-1-ol (CID 65239511) is 3-amino-3-(4-ethylphenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(4-ethylphenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(4-ethylphenyl)butan-1-ol is CCc1ccc(C(C)(N)CCO)cc1.
What is the InChIKey of 3-amino-3-(4-ethylphenyl)butan-1-ol?
The InChIKey is XSJLNPBBLHTNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-4-6-11(7-5-10)12(2,13)8-9-14/h4-7,14H,3,8-9,13H2,1-2H3.
What are the key properties of 3-amino-3-(4-ethylphenyl)butan-1-ol?
3-amino-3-(4-ethylphenyl)butan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethylphenyl)butan-1-ol is sourced from PubChem (CID 65239511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).