1-amino-2-(4-cyclobutylphenyl)propan-2-ol

C13H19NO — CID 116505464

IUPAC1-amino-2-(4-cyclobutylphenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19NO/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,15H,2-4,9,14H2,1H3
InChIKeyMMFRTIDIXFGZNL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds3

About 1-amino-2-(4-cyclobutylphenyl)propan-2-ol

1-amino-2-(4-cyclobutylphenyl)propan-2-ol (PubChem CID 116505464) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-amino-2-(4-cyclobutylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(4-cyclobutylphenyl)propan-2-ol
PubChem CID116505464
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-amino-2-(4-cyclobutylphenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19NO/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,15H,2-4,9,14H2,1H3
InChIKeyMMFRTIDIXFGZNL-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
2-(4-cyclobutylphenyl)-2-cyclopropyl-2-fluoroethanamine
CID 116507146
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-cyclobutylphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(4-cyclobutylphenyl)propan-2-ol (CID 116505464) is 1-amino-2-(4-cyclobutylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(4-cyclobutylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(4-cyclobutylphenyl)propan-2-ol is CC(O)(CN)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-amino-2-(4-cyclobutylphenyl)propan-2-ol?
The InChIKey is MMFRTIDIXFGZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,15H,2-4,9,14H2,1H3.
What are the key properties of 1-amino-2-(4-cyclobutylphenyl)propan-2-ol?
1-amino-2-(4-cyclobutylphenyl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-cyclobutylphenyl)propan-2-ol is sourced from PubChem (CID 116505464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).