2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol

C13H19NO2 — CID 63326627

IUPAC2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
SMILESCc1ccc(OCCO)c(CNC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-10-2-5-13(16-7-6-15)11(8-10)9-14-12-3-4-12/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3
InChIKeyVESGLAHCCFPAIA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol

2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol (PubChem CID 63326627) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
PubChem CID63326627
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
SMILESCc1ccc(OCCO)c(CNC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-10-2-5-13(16-7-6-15)11(8-10)9-14-12-3-4-12/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3
InChIKeyVESGLAHCCFPAIA-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol (CID 63326627) is 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol is Cc1ccc(OCCO)c(CNC2CC2)c1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol?
The InChIKey is VESGLAHCCFPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-2-5-13(16-7-6-15)11(8-10)9-14-12-3-4-12/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol?
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol is sourced from PubChem (CID 63326627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).