3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol

C16H24FNO2 — CID 4694162

IUPAC3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol
SMILESCC1(C)CC(c2ccc(F)cc2)(C(CN)CO)CCO1
InChIInChI=1S/C16H24FNO2/c1-15(2)11-16(7-8-20-15,13(9-18)10-19)12-3-5-14(17)6-4-12/h3-6,13,19H,7-11,18H2,1-2H3
InChIKeyBOMFHWDPYNIPLY-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol

3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol (PubChem CID 4694162) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol
PubChem CID4694162
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol
SMILESCC1(C)CC(c2ccc(F)cc2)(C(CN)CO)CCO1
InChIInChI=1S/C16H24FNO2/c1-15(2)11-16(7-8-20-15,13(9-18)10-19)12-3-5-14(17)6-4-12/h3-6,13,19H,7-11,18H2,1-2H3
InChIKeyBOMFHWDPYNIPLY-UHFFFAOYSA-N
XLogP2.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
3-amino-2-(2-isopropyl-4-phenyltetrahydro-2H-pyran-4-yl)propan-1-ol oxalate
CID 16193267
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
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
CID 3129812
2-[4-benzyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
CID 3100236
Cambridge id 6000352
CID 3132829
2-(4-(4-Fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 2835262
2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethanamine
CID 2877762
2-[4-(4-Fluorophenyl)-2-isopropyltetrahydropyran-4-yl]ethylamine
CID 129869614
3-(benzylamino)-2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)propan-1-ol
CID 3103782
2-(4-Benzyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethylamine
CID 3143078

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol (CID 4694162) is 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol is CC1(C)CC(c2ccc(F)cc2)(C(CN)CO)CCO1.
What is the InChIKey of 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol?
The InChIKey is BOMFHWDPYNIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-15(2)11-16(7-8-20-15,13(9-18)10-19)12-3-5-14(17)6-4-12/h3-6,13,19H,7-11,18H2,1-2H3.
What are the key properties of 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol?
3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]propan-1-ol is sourced from PubChem (CID 4694162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).