N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine

C15H22FNO — CID 115893437

IUPACN-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCCC1CCC1
InChIInChI=1S/C15H22FNO/c1-11(17-10-9-12-5-3-6-12)15-13(16)7-4-8-14(15)18-2/h4,7-8,11-12,17H,3,5-6,9-10H2,1-2H3
InChIKeyRQVDGCMSYIGVIR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.68
Rot. Bonds6

About N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine

N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine (PubChem CID 115893437) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
PubChem CID115893437
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCCC1CCC1
InChIInChI=1S/C15H22FNO/c1-11(17-10-9-12-5-3-6-12)15-13(16)7-4-8-14(15)18-2/h4,7-8,11-12,17H,3,5-6,9-10H2,1-2H3
InChIKeyRQVDGCMSYIGVIR-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
CID 106202382
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 112700351
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine (CID 115893437) is N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine is COc1cccc(F)c1C(C)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The InChIKey is RQVDGCMSYIGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(17-10-9-12-5-3-6-12)15-13(16)7-4-8-14(15)18-2/h4,7-8,11-12,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine?
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine is sourced from PubChem (CID 115893437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).