[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine

C13H18FNO2 — CID 64905235

IUPAC[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
SMILESCOC1(OC)CC(CN)(c2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)7-12(8-13,9-15)10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3
InChIKeyUEMGCFYVPJTNFA-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.81
Rot. Bonds4

About [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine

[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine (PubChem CID 64905235) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
PubChem CID64905235
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
SMILESCOC1(OC)CC(CN)(c2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)7-12(8-13,9-15)10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3
InChIKeyUEMGCFYVPJTNFA-UHFFFAOYSA-N
XLogP1.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
CID 64906687
[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353293
ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
CID 142514919
[1-(3-fluorophenyl)-3-propylcyclobutyl]methanamine
CID 65013573
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
4-(3-fluorophenyl)-4-methoxypiperidine
CID 105463022
1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321082
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine (CID 64905235) is [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine is COC1(OC)CC(CN)(c2cccc(F)c2)C1.
What is the InChIKey of [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine?
The InChIKey is UEMGCFYVPJTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13(17-2)7-12(8-13,9-15)10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3.
What are the key properties of [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine?
[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine is sourced from PubChem (CID 64905235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).