[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol

C15H23NO2 — CID 116958294

IUPAC[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1ccc(OC)c(C)c1C)C1(CO)CC1
InChIInChI=1S/C15H23NO2/c1-10-11(2)13(18-4)6-5-12(10)14(16-3)15(9-17)7-8-15/h5-6,14,16-17H,7-9H2,1-4H3
InChIKeyGKLIENIYPWWKRF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds5

About [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol

[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol (PubChem CID 116958294) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
PubChem CID116958294
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1ccc(OC)c(C)c1C)C1(CO)CC1
InChIInChI=1S/C15H23NO2/c1-10-11(2)13(18-4)6-5-12(10)14(16-3)15(9-17)7-8-15/h5-6,14,16-17H,7-9H2,1-4H3
InChIKeyGKLIENIYPWWKRF-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116959084
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol (CID 116958294) is [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol is CNC(c1ccc(OC)c(C)c1C)C1(CO)CC1.
What is the InChIKey of [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The InChIKey is GKLIENIYPWWKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-11(2)13(18-4)6-5-12(10)14(16-3)15(9-17)7-8-15/h5-6,14,16-17H,7-9H2,1-4H3.
What are the key properties of [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116958294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).