4-amino-1-(2-benzylphenyl)cyclohexan-1-ol

C19H23NO — CID 12831591

IUPAC4-amino-1-(2-benzylphenyl)cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO/c20-17-10-12-19(21,13-11-17)18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,21H,10-14,20H2
InChIKeyXXWHRTCSNWHDGE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.37
Rot. Bonds3

About 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol

4-amino-1-(2-benzylphenyl)cyclohexan-1-ol (PubChem CID 12831591) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-benzylphenyl)cyclohexan-1-ol
PubChem CID12831591
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-amino-1-(2-benzylphenyl)cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO/c20-17-10-12-19(21,13-11-17)18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,21H,10-14,20H2
InChIKeyXXWHRTCSNWHDGE-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol (CID 12831591) is 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol is NC1CCC(O)(c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol?
The InChIKey is XXWHRTCSNWHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c20-17-10-12-19(21,13-11-17)18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,21H,10-14,20H2.
What are the key properties of 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol?
4-amino-1-(2-benzylphenyl)cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-benzylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 12831591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).