1-(2-aminophenyl)-4,4-dimethylpentan-1-ol

C13H21NO — CID 64831796

IUPAC1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccccc1N
InChIInChI=1S/C13H21NO/c1-13(2,3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyPJSBPVIWCKLFJM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol

1-(2-aminophenyl)-4,4-dimethylpentan-1-ol (PubChem CID 64831796) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
PubChem CID64831796
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccccc1N
InChIInChI=1S/C13H21NO/c1-13(2,3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyPJSBPVIWCKLFJM-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.13
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

4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
CID 82071441
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
(1S)-1-(2-fluoro-3-phenylmethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 157198139
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 66274762
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol (CID 64831796) is 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is PJSBPVIWCKLFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9,14H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol?
1-(2-aminophenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 64831796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).