2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride

C12H17ClFNO — CID 75420677

IUPAC2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride
SMILESCNC1CCOC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9;/h2-5,11-12,14H,6-8H2,1H3;1H
InChIKeySQVZBFHLFVJYKA-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride

2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride (PubChem CID 75420677) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride
PubChem CID75420677
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride
SMILESCNC1CCOC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9;/h2-5,11-12,14H,6-8H2,1H3;1H
InChIKeySQVZBFHLFVJYKA-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride (CID 75420677) is 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride is CNC1CCOC(c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride?
The InChIKey is SQVZBFHLFVJYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9;/h2-5,11-12,14H,6-8H2,1H3;1H.
What are the key properties of 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride?
2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 75420677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).