cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol

C18H21NO — CID 166439438

IUPACcis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1
InChIKeyRAQAOTDRMRWQJU-MSOLQXFVSA-N
MW267.37 g/mol
LogP4.13
Rot. Bonds3

About cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol

cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol (PubChem CID 166439438) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
PubChem CID166439438
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Namecis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1
InChIKeyRAQAOTDRMRWQJU-MSOLQXFVSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol (CID 166439438) is cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol is O[C@H]1CCCC[C@H]1N(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol?
The InChIKey is RAQAOTDRMRWQJU-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol?
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol is sourced from PubChem (CID 166439438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).