cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol

C17H27NO2 — CID 54144230

IUPACcis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCOc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1
InChIInChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(12-14)17(18(2)3)15-10-5-6-11-16(15)19/h7-9,12,15-17,19H,4-6,10-11H2,1-3H3/t15-,16+,17?/m0/s1
InChIKeyODFKXHQFWQXEJF-RTKIROINSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds5

About cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol

cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 54144230) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID54144230
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namecis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCOc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1
InChIInChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(12-14)17(18(2)3)15-10-5-6-11-16(15)19/h7-9,12,15-17,19H,4-6,10-11H2,1-3H3/t15-,16+,17?/m0/s1
InChIKeyODFKXHQFWQXEJF-RTKIROINSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
CID 54374840
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol
CID 112514394
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022201
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol (CID 54144230) is cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol is CCOc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1.
What is the InChIKey of cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is ODFKXHQFWQXEJF-RTKIROINSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(12-14)17(18(2)3)15-10-5-6-11-16(15)19/h7-9,12,15-17,19H,4-6,10-11H2,1-3H3/t15-,16+,17?/m0/s1.
What are the key properties of cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol?
cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 54144230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).