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

C15H23ClFNO — CID 2835262

IUPAC2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride
SMILESCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1.Cl
InChIInChI=1S/C15H22FNO.ClH/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;1H
InChIKeySIECOTHQEQTFIW-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.42
Rot. Bonds3

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

2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride (PubChem CID 2835262) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride
PubChem CID2835262
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride
SMILESCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1.Cl
InChIInChI=1S/C15H22FNO.ClH/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;1H
InChIKeySIECOTHQEQTFIW-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride (CID 2835262) is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride is CC1(C)CC(CCN)(c2ccc(F)cc2)CCO1.Cl.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride?
The InChIKey is SIECOTHQEQTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.ClH/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;1H.
What are the key properties of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride?
2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of 3.42, 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;hydrochloride is sourced from PubChem (CID 2835262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).