(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

C12H16ClF2NO — CID 171241038

IUPAC(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C12H15F2NO.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-;/m0./s1
InChIKeyIRARFCUPFASDOP-YDALLXLXSA-N
MW263.71 g/mol
LogP2.81
Rot. Bonds2

About (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride

(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171241038) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171241038
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C12H15F2NO.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-;/m0./s1
InChIKeyIRARFCUPFASDOP-YDALLXLXSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(2,3-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410517
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754

Frequently Asked Questions

What is the IUPAC name of (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171241038) is (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@H](c1cccc(F)c1F)C1CCOCC1.
What is the InChIKey of (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is IRARFCUPFASDOP-YDALLXLXSA-N. The full InChI is InChI=1S/C12H15F2NO.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-;/m0./s1.
What are the key properties of (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171241038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).