2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol

C12H17NO2 — CID 61268390

IUPAC2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC2CC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-15-11-5-4-10(12(14)6-11)8-13-7-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3
InChIKeyOGPUILKGECLPDZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds5

About 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol

2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol (PubChem CID 61268390) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
PubChem CID61268390
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC2CC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-15-11-5-4-10(12(14)6-11)8-13-7-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3
InChIKeyOGPUILKGECLPDZ-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268211
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol (CID 61268390) is 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol is COc1ccc(CNCC2CC2)c(O)c1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol?
The InChIKey is OGPUILKGECLPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-5-4-10(12(14)6-11)8-13-7-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol?
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61268390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).