[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol

C14H21NO2 — CID 116959077

IUPAC[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccccc1OC)C1(CO)CCC1
InChIInChI=1S/C14H21NO2/c1-15-13(14(10-16)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,13,15-16H,5,8-10H2,1-2H3
InChIKeyFTDJROMDXYARSY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds5

About [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol

[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (PubChem CID 116959077) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
PubChem CID116959077
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccccc1OC)C1(CO)CCC1
InChIInChI=1S/C14H21NO2/c1-15-13(14(10-16)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,13,15-16H,5,8-10H2,1-2H3
InChIKeyFTDJROMDXYARSY-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
1-(2-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63078449
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116959084
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 116958838
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82791632
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (CID 116959077) is [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is CNC(c1ccccc1OC)C1(CO)CCC1.
What is the InChIKey of [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The InChIKey is FTDJROMDXYARSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-13(14(10-16)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,13,15-16H,5,8-10H2,1-2H3.
What are the key properties of [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).