3-amino-1-phenylcyclohexan-1-ol

C12H17NO — CID 80562038

IUPAC3-amino-1-phenylcyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,13H2
InChIKeyASBNINGLAUDIDD-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds1

About 3-amino-1-phenylcyclohexan-1-ol

3-amino-1-phenylcyclohexan-1-ol (PubChem CID 80562038) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-amino-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-phenylcyclohexan-1-ol
PubChem CID80562038
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-amino-1-phenylcyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,13H2
InChIKeyASBNINGLAUDIDD-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylcyclohexan-1-ol?
The IUPAC name of 3-amino-1-phenylcyclohexan-1-ol (CID 80562038) is 3-amino-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-phenylcyclohexan-1-ol?
The canonical SMILES for 3-amino-1-phenylcyclohexan-1-ol is NC1CCCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-amino-1-phenylcyclohexan-1-ol?
The InChIKey is ASBNINGLAUDIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,13H2.
What are the key properties of 3-amino-1-phenylcyclohexan-1-ol?
3-amino-1-phenylcyclohexan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 80562038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).