trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol

C17H27NO2 — CID 102732198

IUPACtrans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
SMILESCOc1ccccc1CC(C)N(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H27NO2/c1-13(12-14-8-4-7-11-17(14)20-3)18(2)15-9-5-6-10-16(15)19/h4,7-8,11,13,15-16,19H,5-6,9-10,12H2,1-3H3/t13?,15-,16-/m0/s1
InChIKeyJKDVPKHDOYCFAS-FMYDAXTQSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds5

About trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol (PubChem CID 102732198) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
PubChem CID102732198
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametrans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
SMILESCOc1ccccc1CC(C)N(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H27NO2/c1-13(12-14-8-4-7-11-17(14)20-3)18(2)15-9-5-6-10-16(15)19/h4,7-8,11,13,15-16,19H,5-6,9-10,12H2,1-3H3/t13?,15-,16-/m0/s1
InChIKeyJKDVPKHDOYCFAS-FMYDAXTQSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
CID 65488358
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
CID 65486598
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
1-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide
CID 81169240
2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
CID 65486903
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
CID 65486545

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol (CID 102732198) is trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol is COc1ccccc1CC(C)N(C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol?
The InChIKey is JKDVPKHDOYCFAS-FMYDAXTQSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(12-14-8-4-7-11-17(14)20-3)18(2)15-9-5-6-10-16(15)19/h4,7-8,11,13,15-16,19H,5-6,9-10,12H2,1-3H3/t13?,15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102732198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).