trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol

C17H27NO2 — CID 162647736

IUPACtrans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C17H27NO2/c1-12-10-13(2)14(3)17(11-12)20-9-8-18-15-6-4-5-7-16(15)19/h10-11,15-16,18-19H,4-9H2,1-3H3/t15-,16-/m1/s1
InChIKeyYEWNKSNLSJWBJJ-HZPDHXFCSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds5

About trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol (PubChem CID 162647736) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol
PubChem CID162647736
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametrans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C17H27NO2/c1-12-10-13(2)14(3)17(11-12)20-9-8-18-15-6-4-5-7-16(15)19/h10-11,15-16,18-19H,4-9H2,1-3H3/t15-,16-/m1/s1
InChIKeyYEWNKSNLSJWBJJ-HZPDHXFCSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
2-[2-(2-methoxyphenoxy)ethylamino]cyclohexan-1-ol
CID 60714828
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
(1S,2S,3R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 11905311
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol
CID 126846494
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol (CID 162647736) is trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol is Cc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol?
The InChIKey is YEWNKSNLSJWBJJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-10-13(2)14(3)17(11-12)20-9-8-18-15-6-4-5-7-16(15)19/h10-11,15-16,18-19H,4-9H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 162647736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).