2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine

C15H22FNO — CID 2835263

IUPAC2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO/c1-14(2)11-15(7-9-17,8-10-18-14)12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3
InChIKeyLHTXAUZHTWDXMN-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine

2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 2835263) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID2835263
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO/c1-14(2)11-15(7-9-17,8-10-18-14)12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3
InChIKeyLHTXAUZHTWDXMN-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminoethyl-5-(4''-fluoro-3''-methylphenethyl)tetrahydrofuran
CID 11694495
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779
(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
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2937474
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
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
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
CID 3129812
{4-[3-(Trifluoromethyl)phenyl]oxan-4-yl}methanamine
CID 43119072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine (CID 2835263) is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine is CC1(C)CC(CCN)(c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is LHTXAUZHTWDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2)11-15(7-9-17,8-10-18-14)12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine?
2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 2835263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).