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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Related Compounds

2-Aminoethyl-5-(4''-fluoro-3''-methylphenethyl)tetrahydrofuran
CID 11694495
(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile
CID 3329105
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-dimethylethane-1,2-diamine
CID 4973317
2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethylamine
CID 2965330
2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
CID 2772142
2-[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine
CID 2835263
2-[4-benzyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
CID 3100236
Cambridge id 6000352
CID 3132829

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).