trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol

C14H21NO — CID 14320166

IUPACtrans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
SMILESCCNc1ccccc1[C@@]1(O)CCC[C@@H]1C
InChIInChI=1S/C14H21NO/c1-3-15-13-9-5-4-8-12(13)14(16)10-6-7-11(14)2/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3/t11-,14+/m0/s1
InChIKeyLCIUJKPOFOQWIT-SMDDNHRTSA-N
MW219.33 g/mol
LogP3.13
Rot. Bonds3

About trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol

trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol (PubChem CID 14320166) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
PubChem CID14320166
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
SMILESCCNc1ccccc1[C@@]1(O)CCC[C@@H]1C
InChIInChI=1S/C14H21NO/c1-3-15-13-9-5-4-8-12(13)14(16)10-6-7-11(14)2/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3/t11-,14+/m0/s1
InChIKeyLCIUJKPOFOQWIT-SMDDNHRTSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
CID 103142880
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
CID 125426912
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol (CID 14320166) is trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol is CCNc1ccccc1[C@@]1(O)CCC[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol?
The InChIKey is LCIUJKPOFOQWIT-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-13-9-5-4-8-12(13)14(16)10-6-7-11(14)2/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol?
trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 14320166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).