[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol

C14H19NO2 — CID 103067254

IUPAC[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
SMILESC=C(CNC1CC1)COc1ccccc1CO
InChIInChI=1S/C14H19NO2/c1-11(8-15-13-6-7-13)10-17-14-5-3-2-4-12(14)9-16/h2-5,13,15-16H,1,6-10H2
InChIKeyVBSPMIUHBKCREI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds7

About [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol

[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol (PubChem CID 103067254) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
PubChem CID103067254
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
SMILESC=C(CNC1CC1)COc1ccccc1CO
InChIInChI=1S/C14H19NO2/c1-11(8-15-13-6-7-13)10-17-14-5-3-2-4-12(14)9-16/h2-5,13,15-16H,1,6-10H2
InChIKeyVBSPMIUHBKCREI-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066410
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074981
[2-(2-phenylprop-2-enoxy)phenyl]methanol
CID 70376381
N-cyclopropyl-N'-[(2-methoxyphenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069652
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
N-[2-[(5-chloro-2-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067182
N-[2-[(2-fluoro-4-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066948
4-[2-[(cyclopropylamino)methyl]prop-2-enoxy]-3-(trifluoromethyl)benzonitrile
CID 103067392

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol?
The IUPAC name of [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol (CID 103067254) is [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol?
The canonical SMILES for [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol is C=C(CNC1CC1)COc1ccccc1CO.
What is the InChIKey of [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol?
The InChIKey is VBSPMIUHBKCREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(8-15-13-6-7-13)10-17-14-5-3-2-4-12(14)9-16/h2-5,13,15-16H,1,6-10H2.
What are the key properties of [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol?
[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol is sourced from PubChem (CID 103067254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).