4-[[1-(methylamino)cyclopropyl]methyl]phenol

C11H15NO — CID 83683246

IUPAC4-[[1-(methylamino)cyclopropyl]methyl]phenol
SMILESCNC1(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C11H15NO/c1-12-11(6-7-11)8-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3
InChIKeyOAIXFJPUXUSHBV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds3

About 4-[[1-(methylamino)cyclopropyl]methyl]phenol

4-[[1-(methylamino)cyclopropyl]methyl]phenol (PubChem CID 83683246) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[[1-(methylamino)cyclopropyl]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(methylamino)cyclopropyl]methyl]phenol
PubChem CID83683246
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[[1-(methylamino)cyclopropyl]methyl]phenol
SMILESCNC1(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C11H15NO/c1-12-11(6-7-11)8-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3
InChIKeyOAIXFJPUXUSHBV-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(methylamino)cyclopropyl]methyl]phenol?
The IUPAC name of 4-[[1-(methylamino)cyclopropyl]methyl]phenol (CID 83683246) is 4-[[1-(methylamino)cyclopropyl]methyl]phenol.
What is the SMILES notation for 4-[[1-(methylamino)cyclopropyl]methyl]phenol?
The canonical SMILES for 4-[[1-(methylamino)cyclopropyl]methyl]phenol is CNC1(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[1-(methylamino)cyclopropyl]methyl]phenol?
The InChIKey is OAIXFJPUXUSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-11(6-7-11)8-9-2-4-10(13)5-3-9/h2-5,12-13H,6-8H2,1H3.
What are the key properties of 4-[[1-(methylamino)cyclopropyl]methyl]phenol?
4-[[1-(methylamino)cyclopropyl]methyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(methylamino)cyclopropyl]methyl]phenol is sourced from PubChem (CID 83683246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).