2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol

C13H19NO3 — CID 63298601

IUPAC2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC(O)C2CC2)c(O)c1
InChIInChI=1S/C13H19NO3/c1-17-11-5-4-10(12(15)6-11)7-14-8-13(16)9-2-3-9/h4-6,9,13-16H,2-3,7-8H2,1H3
InChIKeyJQEARTOHLCXBCB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds6

About 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol

2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol (PubChem CID 63298601) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
PubChem CID63298601
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC(O)C2CC2)c(O)c1
InChIInChI=1S/C13H19NO3/c1-17-11-5-4-10(12(15)6-11)7-14-8-13(16)9-2-3-9/h4-6,9,13-16H,2-3,7-8H2,1H3
InChIKeyJQEARTOHLCXBCB-UHFFFAOYSA-N
XLogP1.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268211
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
CID 64988404
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol (CID 63298601) is 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol is COc1ccc(CNCC(O)C2CC2)c(O)c1.
What is the InChIKey of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol?
The InChIKey is JQEARTOHLCXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-11-5-4-10(12(15)6-11)7-14-8-13(16)9-2-3-9/h4-6,9,13-16H,2-3,7-8H2,1H3.
What are the key properties of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol?
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol has a molecular weight of 237.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 63298601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).