(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

C12H17ClFNO — CID 86263110

IUPAC(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;/h1-4,10,12H,5-8,14H2;1H
InChIKeyFJKKYIXXPSMDAT-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.67
Rot. Bonds2

About (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 86263110) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID86263110
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;/h1-4,10,12H,5-8,14H2;1H
InChIKeyFJKKYIXXPSMDAT-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (CID 86263110) is (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.NC(c1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is FJKKYIXXPSMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;/h1-4,10,12H,5-8,14H2;1H.
What are the key properties of (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
(4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 86263110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).