(3-aminophenyl)-cyclobutylmethanol

C11H15NO — CID 105437114

IUPAC(3-aminophenyl)-cyclobutylmethanol
SMILESNc1cccc(C(O)C2CCC2)c1
InChIInChI=1S/C11H15NO/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8,11,13H,1,3-4,12H2
InChIKeyZOHHSJVXEYICGX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.10
Rot. Bonds2

About (3-aminophenyl)-cyclobutylmethanol

(3-aminophenyl)-cyclobutylmethanol (PubChem CID 105437114) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3-aminophenyl)-cyclobutylmethanol.

Molecular Properties

Compound Name(3-aminophenyl)-cyclobutylmethanol
PubChem CID105437114
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3-aminophenyl)-cyclobutylmethanol
SMILESNc1cccc(C(O)C2CCC2)c1
InChIInChI=1S/C11H15NO/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8,11,13H,1,3-4,12H2
InChIKeyZOHHSJVXEYICGX-UHFFFAOYSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
3-(1-cyclobutylethyl)aniline
CID 115014570
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
3-[cyclobutyl(hydroxy)methyl]benzaldehyde
CID 115018179
3-(1-cyclobutyl-2-fluoroethyl)aniline
CID 115019523
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-cyclobutylmethanol?
The IUPAC name of (3-aminophenyl)-cyclobutylmethanol (CID 105437114) is (3-aminophenyl)-cyclobutylmethanol.
What is the SMILES notation for (3-aminophenyl)-cyclobutylmethanol?
The canonical SMILES for (3-aminophenyl)-cyclobutylmethanol is Nc1cccc(C(O)C2CCC2)c1.
What is the InChIKey of (3-aminophenyl)-cyclobutylmethanol?
The InChIKey is ZOHHSJVXEYICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8,11,13H,1,3-4,12H2.
What are the key properties of (3-aminophenyl)-cyclobutylmethanol?
(3-aminophenyl)-cyclobutylmethanol has a molecular weight of 177.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-cyclobutylmethanol is sourced from PubChem (CID 105437114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).