(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine

C12H15ClFNO — CID 131491152

IUPAC(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1ccc(F)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-10-7-9(1-2-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2/t12-/m1/s1
InChIKeyQEXPZZDVZXVADK-GFCCVEGCSA-N
MW243.71 g/mol
LogP2.91
Rot. Bonds2

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

(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine (PubChem CID 131491152) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
PubChem CID131491152
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1ccc(F)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-10-7-9(1-2-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2/t12-/m1/s1
InChIKeyQEXPZZDVZXVADK-GFCCVEGCSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(3-chloro-4-iodophenyl)-(oxan-4-yl)methanamine
CID 103215273
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
(S)-(3-chloro-5-fluorophenyl)-(oxan-4-yl)methanamine
CID 131582090

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine (CID 131491152) is (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine is N[C@@H](c1ccc(F)c(Cl)c1)C1CCOCC1.
What is the InChIKey of (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is QEXPZZDVZXVADK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-7-9(1-2-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2/t12-/m1/s1.
What are the key properties of (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine?
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine has a molecular weight of 243.71 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131491152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).