2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol

C12H17NO2 — CID 82228517

IUPAC2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
SMILESCNCC1CC1c1ccc(O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-13-7-9-5-10(9)8-3-4-11(14)12(6-8)15-2/h3-4,6,9-10,13-14H,5,7H2,1-2H3
InChIKeyXBJAEGXWMKITGJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.72
Rot. Bonds4

About 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol

2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol (PubChem CID 82228517) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
PubChem CID82228517
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
SMILESCNCC1CC1c1ccc(O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-13-7-9-5-10(9)8-3-4-11(14)12(6-8)15-2/h3-4,6,9-10,13-14H,5,7H2,1-2H3
InChIKeyXBJAEGXWMKITGJ-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
1-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558328
1-[2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 53275677
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol?
The IUPAC name of 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol (CID 82228517) is 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol is CNCC1CC1c1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol?
The InChIKey is XBJAEGXWMKITGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-9-5-10(9)8-3-4-11(14)12(6-8)15-2/h3-4,6,9-10,13-14H,5,7H2,1-2H3.
What are the key properties of 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol?
2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol is sourced from PubChem (CID 82228517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).