2-(3-aminophenyl)-4-methylpentan-2-ol

C12H19NO — CID 89270411

IUPAC2-(3-aminophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cccc(N)c1
InChIInChI=1S/C12H19NO/c1-9(2)8-12(3,14)10-5-4-6-11(13)7-10/h4-7,9,14H,8,13H2,1-3H3
InChIKeyFNULLMRQHGPESV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-aminophenyl)-4-methylpentan-2-ol

2-(3-aminophenyl)-4-methylpentan-2-ol (PubChem CID 89270411) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3-aminophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(3-aminophenyl)-4-methylpentan-2-ol
PubChem CID89270411
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(3-aminophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cccc(N)c1
InChIInChI=1S/C12H19NO/c1-9(2)8-12(3,14)10-5-4-6-11(13)7-10/h4-7,9,14H,8,13H2,1-3H3
InChIKeyFNULLMRQHGPESV-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
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-tert-butylaniline;hydrobromide
CID 155928054
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
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2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
3-tert-butylaniline;tert-butylbenzene
CID 158494400
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528
3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
1-(3-aminophenyl)-1-piperidin-4-ylethanol
CID 115032215
1-(3-aminophenyl)sulfanyl-2-phenylpropan-2-ol
CID 79134142
1-amino-1-(3-aminophenyl)-3,3-dideuteriopropan-1-ol
CID 141417035
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
(3-aminophenyl)methanetriamine
CID 175509279

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-4-methylpentan-2-ol?
The IUPAC name of 2-(3-aminophenyl)-4-methylpentan-2-ol (CID 89270411) is 2-(3-aminophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-(3-aminophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 2-(3-aminophenyl)-4-methylpentan-2-ol is CC(C)CC(C)(O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-4-methylpentan-2-ol?
The InChIKey is FNULLMRQHGPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)8-12(3,14)10-5-4-6-11(13)7-10/h4-7,9,14H,8,13H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-4-methylpentan-2-ol?
2-(3-aminophenyl)-4-methylpentan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 89270411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).