1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine

C16H24FNO — CID 103169780

IUPAC1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FNO/c1-3-19-16-7-12(8-16)6-15(18)10-13-9-14(17)5-4-11(13)2/h4-5,9,12,15-16H,3,6-8,10,18H2,1-2H3
InChIKeyVGGFUJNKBBSLPL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine

1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 103169780) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
PubChem CID103169780
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FNO/c1-3-19-16-7-12(8-16)6-15(18)10-13-9-14(17)5-4-11(13)2/h4-5,9,12,15-16H,3,6-8,10,18H2,1-2H3
InChIKeyVGGFUJNKBBSLPL-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine (CID 103169780) is 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine is CCOC1CC(CC(N)Cc2cc(F)ccc2C)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is VGGFUJNKBBSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-19-16-7-12(8-16)6-15(18)10-13-9-14(17)5-4-11(13)2/h4-5,9,12,15-16H,3,6-8,10,18H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 103169780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).