1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

C16H24FNO2 — CID 103168394

IUPAC1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO2/c1-3-20-14-8-12(9-14)7-13(18)6-11-4-5-16(19-2)15(17)10-11/h4-5,10,12-14H,3,6-9,18H2,1-2H3
InChIKeyQVIQWELWRSAFAE-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.91
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 103168394) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
PubChem CID103168394
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO2/c1-3-20-14-8-12(9-14)7-13(18)6-11-4-5-16(19-2)15(17)10-11/h4-5,10,12-14H,3,6-9,18H2,1-2H3
InChIKeyQVIQWELWRSAFAE-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (CID 103168394) is 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is CCOC1CC(CC(N)Cc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is QVIQWELWRSAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-20-14-8-12(9-14)7-13(18)6-11-4-5-16(19-2)15(17)10-11/h4-5,10,12-14H,3,6-9,18H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103168394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).