4-amino-1-(3-tert-butylphenyl)butan-2-ol

C14H23NO — CID 66582205

IUPAC4-amino-1-(3-tert-butylphenyl)butan-2-ol
SMILESCC(C)(C)c1cccc(CC(O)CCN)c1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-4-5-11(9-12)10-13(16)7-8-15/h4-6,9,13,16H,7-8,10,15H2,1-3H3
InChIKeyPLCYJKFOIWLBOT-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-1-(3-tert-butylphenyl)butan-2-ol

4-amino-1-(3-tert-butylphenyl)butan-2-ol (PubChem CID 66582205) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-amino-1-(3-tert-butylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-tert-butylphenyl)butan-2-ol
PubChem CID66582205
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-amino-1-(3-tert-butylphenyl)butan-2-ol
SMILESCC(C)(C)c1cccc(CC(O)CCN)c1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-4-5-11(9-12)10-13(16)7-8-15/h4-6,9,13,16H,7-8,10,15H2,1-3H3
InChIKeyPLCYJKFOIWLBOT-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(3-tert-butylphenyl)butan-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

Related Compounds

4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-tert-butyl-3-[2-(trifluoromethyl)pentyl]benzene
CID 70646216
1,6-diphenylhexane-2,5-diol
CID 15072586

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-tert-butylphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(3-tert-butylphenyl)butan-2-ol (CID 66582205) is 4-amino-1-(3-tert-butylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3-tert-butylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(3-tert-butylphenyl)butan-2-ol is CC(C)(C)c1cccc(CC(O)CCN)c1.
What is the InChIKey of 4-amino-1-(3-tert-butylphenyl)butan-2-ol?
The InChIKey is PLCYJKFOIWLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)12-6-4-5-11(9-12)10-13(16)7-8-15/h4-6,9,13,16H,7-8,10,15H2,1-3H3.
What are the key properties of 4-amino-1-(3-tert-butylphenyl)butan-2-ol?
4-amino-1-(3-tert-butylphenyl)butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-tert-butylphenyl)butan-2-ol is sourced from PubChem (CID 66582205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).