(2-amino-5-methoxyphenyl)-cyclopropylmethanol

C11H15NO2 — CID 105447147

IUPAC(2-amino-5-methoxyphenyl)-cyclopropylmethanol
SMILESCOc1ccc(N)c(C(O)C2CC2)c1
InChIInChI=1S/C11H15NO2/c1-14-8-4-5-10(12)9(6-8)11(13)7-2-3-7/h4-7,11,13H,2-3,12H2,1H3
InChIKeyMBSGYOFXHXBMNW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.72
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-cyclopropylmethanol

(2-amino-5-methoxyphenyl)-cyclopropylmethanol (PubChem CID 105447147) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-cyclopropylmethanol
PubChem CID105447147
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2-amino-5-methoxyphenyl)-cyclopropylmethanol
SMILESCOc1ccc(N)c(C(O)C2CC2)c1
InChIInChI=1S/C11H15NO2/c1-14-8-4-5-10(12)9(6-8)11(13)7-2-3-7/h4-7,11,13H,2-3,12H2,1H3
InChIKeyMBSGYOFXHXBMNW-UHFFFAOYSA-N
XLogP1.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.72
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

(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81304806
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161480
(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
CID 79024060
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanol
CID 65411524
(4-methoxy-2-methylphenyl)-(4-propylcyclohexyl)methanol
CID 65423725

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-cyclopropylmethanol?
The IUPAC name of (2-amino-5-methoxyphenyl)-cyclopropylmethanol (CID 105447147) is (2-amino-5-methoxyphenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-cyclopropylmethanol?
The canonical SMILES for (2-amino-5-methoxyphenyl)-cyclopropylmethanol is COc1ccc(N)c(C(O)C2CC2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-cyclopropylmethanol?
The InChIKey is MBSGYOFXHXBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-8-4-5-10(12)9(6-8)11(13)7-2-3-7/h4-7,11,13H,2-3,12H2,1H3.
What are the key properties of (2-amino-5-methoxyphenyl)-cyclopropylmethanol?
(2-amino-5-methoxyphenyl)-cyclopropylmethanol has a molecular weight of 193.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl)-cyclopropylmethanol is sourced from PubChem (CID 105447147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).