1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol

C16H23NO — CID 68507449

IUPAC1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N)c(C2=CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-16(2,18)11-12-8-9-15(17)14(10-12)13-6-4-3-5-7-13/h6,8-10,18H,3-5,7,11,17H2,1-2H3
InChIKeyOFDFEMOXQWAJLK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol

1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol (PubChem CID 68507449) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol
PubChem CID68507449
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N)c(C2=CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-16(2,18)11-12-8-9-15(17)14(10-12)13-6-4-3-5-7-13/h6,8-10,18H,3-5,7,11,17H2,1-2H3
InChIKeyOFDFEMOXQWAJLK-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol (CID 68507449) is 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(N)c(C2=CCCCC2)c1.
What is the InChIKey of 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol?
The InChIKey is OFDFEMOXQWAJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2,18)11-12-8-9-15(17)14(10-12)13-6-4-3-5-7-13/h6,8-10,18H,3-5,7,11,17H2,1-2H3.
What are the key properties of 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol?
1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 68507449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).