2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol

C11H15NO2 — CID 130061799

IUPAC2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
SMILESNC(CC1CC1)c1c(O)cccc1O
InChIInChI=1S/C11H15NO2/c12-8(6-7-4-5-7)11-9(13)2-1-3-10(11)14/h1-3,7-8,13-14H,4-6,12H2
InChIKeyNEQDUMUXNCVJFP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.90
Rot. Bonds3

About 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol

2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol (PubChem CID 130061799) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
PubChem CID130061799
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
SMILESNC(CC1CC1)c1c(O)cccc1O
InChIInChI=1S/C11H15NO2/c12-8(6-7-4-5-7)11-9(13)2-1-3-10(11)14/h1-3,7-8,13-14H,4-6,12H2
InChIKeyNEQDUMUXNCVJFP-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1R)-1-amino-2-cyclopropylethyl]benzene-1,3,5-triol;hydrochloride
CID 171217038
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
CID 130658234
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol?
The IUPAC name of 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol (CID 130061799) is 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol.
What is the SMILES notation for 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol?
The canonical SMILES for 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol is NC(CC1CC1)c1c(O)cccc1O.
What is the InChIKey of 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol?
The InChIKey is NEQDUMUXNCVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-8(6-7-4-5-7)11-9(13)2-1-3-10(11)14/h1-3,7-8,13-14H,4-6,12H2.
What are the key properties of 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol?
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol has a molecular weight of 193.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol is sourced from PubChem (CID 130061799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).