3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine

C16H24FNO — CID 3129812

IUPAC3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESCC1(C)CC(C(CCN)c2ccc(F)cc2)CCO1
InChIInChI=1S/C16H24FNO/c1-16(2)11-13(8-10-19-16)15(7-9-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3
InChIKeyFBSHSKALOHEBCG-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.46
Rot. Bonds4

About 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine

3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 3129812) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID3129812
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESCC1(C)CC(C(CCN)c2ccc(F)cc2)CCO1
InChIInChI=1S/C16H24FNO/c1-16(2)11-13(8-10-19-16)15(7-9-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3
InChIKeyFBSHSKALOHEBCG-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine (CID 3129812) is 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine is CC1(C)CC(C(CCN)c2ccc(F)cc2)CCO1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is FBSHSKALOHEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2)11-13(8-10-19-16)15(7-9-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine?
3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 3129812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).