[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol

C14H21NO2 — CID 116958241

IUPAC[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cc(C)ccc1OC)C1(CO)CC1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(17-3)11(8-10)13(15-2)14(9-16)6-7-14/h4-5,8,13,15-16H,6-7,9H2,1-3H3
InChIKeyBYACQWQPPIMWEK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds5

About [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol

[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol (PubChem CID 116958241) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
PubChem CID116958241
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cc(C)ccc1OC)C1(CO)CC1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(17-3)11(8-10)13(15-2)14(9-16)6-7-14/h4-5,8,13,15-16H,6-7,9H2,1-3H3
InChIKeyBYACQWQPPIMWEK-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
3-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959346
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958555
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116912962
1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958159
[(1-methoxycyclopentyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105268692

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol (CID 116958241) is [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol is CNC(c1cc(C)ccc1OC)C1(CO)CC1.
What is the InChIKey of [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
The InChIKey is BYACQWQPPIMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-12(17-3)11(8-10)13(15-2)14(9-16)6-7-14/h4-5,8,13,15-16H,6-7,9H2,1-3H3.
What are the key properties of [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol?
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116958241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).