(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

C12H16Cl2FNO — CID 171249497

IUPAC(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C12H15ClFNO.ClH/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8;/h1-3,8,12H,4-7,15H2;1H/t12-;/m1./s1
InChIKeyDKORSPVIWYSIBU-UTONKHPSSA-N
MW280.17 g/mol
LogP3.33
Rot. Bonds2

About (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171249497) has the molecular formula C12H16Cl2FNO and a molecular weight of 280.17 g/mol. Its IUPAC name is (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171249497
Molecular FormulaC12H16Cl2FNO
Molecular Weight280.17 g/mol
Exact Mass279.06
IUPAC Name(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C12H15ClFNO.ClH/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8;/h1-3,8,12H,4-7,15H2;1H/t12-;/m1./s1
InChIKeyDKORSPVIWYSIBU-UTONKHPSSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314499
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171242729
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171249497) is (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@@H](c1cccc(Cl)c1F)C1CCOCC1.
What is the InChIKey of (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is DKORSPVIWYSIBU-UTONKHPSSA-N. The full InChI is InChI=1S/C12H15ClFNO.ClH/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8;/h1-3,8,12H,4-7,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 280.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171249497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).