trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol

C19H23NO — CID 102730921

IUPACtrans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H23NO/c21-19-13-7-6-12-18(19)20-17-11-5-4-10-16(17)14-15-8-2-1-3-9-15/h1-5,8-11,18-21H,6-7,12-14H2/t18-,19-/m1/s1
InChIKeyBBYXYNDJUYGQNY-RTBURBONSA-N
MW281.40 g/mol
LogP3.99
Rot. Bonds4

About trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol (PubChem CID 102730921) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
PubChem CID102730921
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Nametrans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H23NO/c21-19-13-7-6-12-18(19)20-17-11-5-4-10-16(17)14-15-8-2-1-3-9-15/h1-5,8-11,18-21H,6-7,12-14H2/t18-,19-/m1/s1
InChIKeyBBYXYNDJUYGQNY-RTBURBONSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
2-acetamido-N-[(1R,2S,3R)-3-(2-benzylanilino)-2-hydroxycyclohexyl]-N-methylacetamide
CID 155984604
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
N-(2-benzylphenyl)azepan-4-amine
CID 103980459

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol (CID 102730921) is trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1ccccc1Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol?
The InChIKey is BBYXYNDJUYGQNY-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NO/c21-19-13-7-6-12-18(19)20-17-11-5-4-10-16(17)14-15-8-2-1-3-9-15/h1-5,8-11,18-21H,6-7,12-14H2/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).