4-amino-1-phenylcyclohexan-1-ol

C12H17NO — CID 3039766

IUPAC4-amino-1-phenylcyclohexan-1-ol
SMILESNC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H17NO/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKeyIUECPDWEFSCXJG-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds1

About 4-amino-1-phenylcyclohexan-1-ol

4-amino-1-phenylcyclohexan-1-ol (PubChem CID 3039766) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-amino-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-phenylcyclohexan-1-ol
PubChem CID3039766
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-amino-1-phenylcyclohexan-1-ol
SMILESNC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H17NO/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKeyIUECPDWEFSCXJG-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 4-amino-1-phenylcyclohexan-1-ol?
The IUPAC name of 4-amino-1-phenylcyclohexan-1-ol (CID 3039766) is 4-amino-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-phenylcyclohexan-1-ol?
The canonical SMILES for 4-amino-1-phenylcyclohexan-1-ol is NC1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-phenylcyclohexan-1-ol?
The InChIKey is IUECPDWEFSCXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2.
What are the key properties of 4-amino-1-phenylcyclohexan-1-ol?
4-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 4-amino-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 3039766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).