cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol

C13H19NO2 — CID 57265905

IUPACcis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
SMILESCN[C@H]1CCC[C@@]1(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-14-12-7-4-8-13(12,15)10-5-3-6-11(9-10)16-2/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyJGVFFIVYEFKLIW-QWHCGFSZSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds3

About cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol

cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol (PubChem CID 57265905) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
PubChem CID57265905
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namecis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
SMILESCN[C@H]1CCC[C@@]1(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-14-12-7-4-8-13(12,15)10-5-3-6-11(9-10)16-2/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyJGVFFIVYEFKLIW-QWHCGFSZSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
(2S)-2-(methylamino)-1-phenylcyclopentan-1-ol
CID 70572348
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
CID 22146616
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol (CID 57265905) is cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol is CN[C@H]1CCC[C@@]1(O)c1cccc(OC)c1.
What is the InChIKey of cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol?
The InChIKey is JGVFFIVYEFKLIW-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-12-7-4-8-13(12,15)10-5-3-6-11(9-10)16-2/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol?
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol is sourced from PubChem (CID 57265905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).