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

C14H20FNO2 — CID 116959013

IUPAC[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1cc(F)ccc1OC)C1(CO)CCC1
InChIInChI=1S/C14H20FNO2/c1-16-13(14(9-17)6-3-7-14)11-8-10(15)4-5-12(11)18-2/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyBXYGBHQGSNPASP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.26
Rot. Bonds5

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

[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (PubChem CID 116959013) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
PubChem CID116959013
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1cc(F)ccc1OC)C1(CO)CCC1
InChIInChI=1S/C14H20FNO2/c1-16-13(14(9-17)6-3-7-14)11-8-10(15)4-5-12(11)18-2/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyBXYGBHQGSNPASP-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)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-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
3-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959348
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944054
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
[(5-fluoro-2-methoxyphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253466
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol (CID 116959013) is [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is CNC(c1cc(F)ccc1OC)C1(CO)CCC1.
What is the InChIKey of [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The InChIKey is BXYGBHQGSNPASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-13(14(9-17)6-3-7-14)11-8-10(15)4-5-12(11)18-2/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3.
What are the key properties of [1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol?
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.26, 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-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).