trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol

C14H21NO — CID 93382278

IUPACtrans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CN[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14(13)16/h4-6,9,13-16H,2-3,7-8,10H2,1H3/t13-,14-/m1/s1
InChIKeyMSBVASQFWQWFMT-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds3

About trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 93382278) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
PubChem CID93382278
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CN[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14(13)16/h4-6,9,13-16H,2-3,7-8,10H2,1H3/t13-,14-/m1/s1
InChIKeyMSBVASQFWQWFMT-ZIAGYGMSSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
1-N-methyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 170325151
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol (CID 93382278) is trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol is Cc1cccc(CN[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is MSBVASQFWQWFMT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14(13)16/h4-6,9,13-16H,2-3,7-8,10H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 93382278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).