2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol

C11H15NO2 — CID 130042224

IUPAC2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
SMILESNC(c1c(O)cccc1CO)C1CC1
InChIInChI=1S/C11H15NO2/c12-11(7-4-5-7)10-8(6-13)2-1-3-9(10)14/h1-3,7,11,13-14H,4-6,12H2
InChIKeyVDBPLLCTSWDBJJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds3

About 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol

2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol (PubChem CID 130042224) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
PubChem CID130042224
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
SMILESNC(c1c(O)cccc1CO)C1CC1
InChIInChI=1S/C11H15NO2/c12-11(7-4-5-7)10-8(6-13)2-1-3-9(10)14/h1-3,7,11,13-14H,4-6,12H2
InChIKeyVDBPLLCTSWDBJJ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880
1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
CID 171232064
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
[2-hydroxy-6-(hydroxymethyl)phenyl]azanium
CID 163514906
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol (CID 130042224) is 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol is NC(c1c(O)cccc1CO)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol?
The InChIKey is VDBPLLCTSWDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(7-4-5-7)10-8(6-13)2-1-3-9(10)14/h1-3,7,11,13-14H,4-6,12H2.
What are the key properties of 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol?
2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol has a molecular weight of 193.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol is sourced from PubChem (CID 130042224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).