trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol

C15H23NO — CID 102731816

IUPACtrans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
SMILESCCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H23NO/c1-2-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyLJVFXDUUSUEMTN-GJZGRUSLSA-N
MW233.36 g/mol
LogP2.81
Rot. Bonds4

About trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol (PubChem CID 102731816) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
PubChem CID102731816
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nametrans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
SMILESCCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H23NO/c1-2-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyLJVFXDUUSUEMTN-GJZGRUSLSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026
N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide
CID 66567069
trans-(1S,2S)-2-[benzyl-[(1-methylindol-3-yl)methyl]amino]cyclohexan-1-ol
CID 95242640
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
CID 124831484
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
CID 92701825
(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
CID 71500771
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
2-[benzyl(ethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 63068416
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol (CID 102731816) is trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol is CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol?
The InChIKey is LJVFXDUUSUEMTN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).