trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol

C16H25NO — CID 104923295

IUPACtrans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(CN[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18/h7-10,12,15-18H,3-6,11H2,1-2H3/t15-,16-/m1/s1
InChIKeyJLWHIRNYUMOOQL-HZPDHXFCSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds4

About trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 104923295) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
PubChem CID104923295
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nametrans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(CN[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18/h7-10,12,15-18H,3-6,11H2,1-2H3/t15-,16-/m1/s1
InChIKeyJLWHIRNYUMOOQL-HZPDHXFCSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol (CID 104923295) is trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol is CC(C)c1ccc(CN[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is JLWHIRNYUMOOQL-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18/h7-10,12,15-18H,3-6,11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 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-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 104923295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).