[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol

C13H18FNO2 — CID 115246686

IUPAC[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(F)cc1NCC1(CO)CCC1
InChIInChI=1S/C13H18FNO2/c1-17-12-4-3-10(14)7-11(12)15-8-13(9-16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyWYGOHQCUSQPHED-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.41
Rot. Bonds5

About [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol

[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol (PubChem CID 115246686) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
PubChem CID115246686
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(F)cc1NCC1(CO)CCC1
InChIInChI=1S/C13H18FNO2/c1-17-12-4-3-10(14)7-11(12)15-8-13(9-16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyWYGOHQCUSQPHED-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 106660625
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
CID 115205550
[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol (CID 115246686) is [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol is COc1ccc(F)cc1NCC1(CO)CCC1.
What is the InChIKey of [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol?
The InChIKey is WYGOHQCUSQPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-12-4-3-10(14)7-11(12)15-8-13(9-16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol?
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).