3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine

C14H20FNO — CID 135278344

IUPAC3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine
SMILESCCCc1cc(F)cc(OC2CC(NC)C2)c1
InChIInChI=1S/C14H20FNO/c1-3-4-10-5-11(15)7-13(6-10)17-14-8-12(9-14)16-2/h5-7,12,14,16H,3-4,8-9H2,1-2H3
InChIKeyGYRIGVFAWLKJNE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds5

About 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine

3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 135278344) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine
PubChem CID135278344
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine
SMILESCCCc1cc(F)cc(OC2CC(NC)C2)c1
InChIInChI=1S/C14H20FNO/c1-3-4-10-5-11(15)7-13(6-10)17-14-8-12(9-14)16-2/h5-7,12,14,16H,3-4,8-9H2,1-2H3
InChIKeyGYRIGVFAWLKJNE-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199
1-[3-fluoro-5-[3-(1-sulfanylethylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one
CID 135216912
3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
CID 66359286
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate
CID 135167802
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66359079
1-cyclopentyloxy-3-ethyl-5-propylbenzene
CID 91071126
1-[3-[3-(ethylamino)cyclobutyl]oxy-5-fluorophenyl]-4-methyl-7-[[3-[4-(3-methyl-2-oxobutyl)phenoxy]cyclobutyl]amino]octan-3-one
CID 134582786
3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
CID 107727245
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560
3-(3,5-difluorophenoxy)-1-ethylazetidine
CID 134521250

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine (CID 135278344) is 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine is CCCc1cc(F)cc(OC2CC(NC)C2)c1.
What is the InChIKey of 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is GYRIGVFAWLKJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-4-10-5-11(15)7-13(6-10)17-14-8-12(9-14)16-2/h5-7,12,14,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine?
3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 135278344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).