(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine

C12H16FNO — CID 95255362

IUPAC(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@H](c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)12(14)9-4-6-15-7-5-9/h1-3,8-9,12H,4-7,14H2/t12-/m0/s1
InChIKeyZTBOQGBLGPVUBW-LBPRGKRZSA-N
MW209.26 g/mol
LogP2.25
Rot. Bonds2

About (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine

(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine (PubChem CID 95255362) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
PubChem CID95255362
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@H](c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)12(14)9-4-6-15-7-5-9/h1-3,8-9,12H,4-7,14H2/t12-/m0/s1
InChIKeyZTBOQGBLGPVUBW-LBPRGKRZSA-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)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261
[3-(aminomethyl)phenyl]-(oxan-4-yl)methanamine
CID 116937010
(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
CID 114603376
(S)-(3-chloro-5-fluorophenyl)-(oxan-4-yl)methanamine
CID 131582090

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine (CID 95255362) is (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine is N[C@H](c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is ZTBOQGBLGPVUBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)12(14)9-4-6-15-7-5-9/h1-3,8-9,12H,4-7,14H2/t12-/m0/s1.
What are the key properties of (S)-(3-fluorophenyl)-(oxan-4-yl)methanamine?
(S)-(3-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)-(3-fluorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 95255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).