(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine

C12H16FNO — CID 94891777

IUPAC(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@H](c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12H,5-8,14H2/t12-/m1/s1
InChIKeyYLPBABRLRUVRGD-GFCCVEGCSA-N
MW209.26 g/mol
LogP2.25
Rot. Bonds2

About (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine

(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine (PubChem CID 94891777) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
PubChem CID94891777
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@H](c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12H,5-8,14H2/t12-/m1/s1
InChIKeyYLPBABRLRUVRGD-GFCCVEGCSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(S)-(3-chloro-5-fluorophenyl)-(oxan-4-yl)methanamine
CID 131582090
(5-fluoro-2-pyridinyl)-(oxan-4-yl)methanamine
CID 79721967
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine (CID 94891777) is (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine is N[C@H](c1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is YLPBABRLRUVRGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12H,5-8,14H2/t12-/m1/s1.
What are the key properties of (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine?
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 94891777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).