1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol

C12H17NO2 — CID 117104185

IUPAC1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1cccc(C2(O)CCCC2)c1N
InChIInChI=1S/C12H17NO2/c1-15-10-6-4-5-9(11(10)13)12(14)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3
InChIKeyIUSSUVHUPWZLSG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol

1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol (PubChem CID 117104185) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
PubChem CID117104185
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1cccc(C2(O)CCCC2)c1N
InChIInChI=1S/C12H17NO2/c1-15-10-6-4-5-9(11(10)13)12(14)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3
InChIKeyIUSSUVHUPWZLSG-UHFFFAOYSA-N
XLogP2.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 117104301
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
2,6-dimethoxyaniline;ethane
CID 145233133
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
(3S)-3-(2-methoxyphenyl)thian-3-ol
CID 124510302
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol (CID 117104185) is 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol is COc1cccc(C2(O)CCCC2)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol?
The InChIKey is IUSSUVHUPWZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-10-6-4-5-9(11(10)13)12(14)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol?
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 117104185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).