(R)-(3-iodophenyl)-(oxan-4-yl)methanamine

C12H16INO — CID 131503127

IUPAC(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cccc(I)c1)C1CCOCC1
InChIInChI=1S/C12H16INO/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-/m1/s1
InChIKeyVAMXYHDEJSLJKL-GFCCVEGCSA-N
MW317.17 g/mol
LogP2.72
Rot. Bonds2

About (R)-(3-iodophenyl)-(oxan-4-yl)methanamine

(R)-(3-iodophenyl)-(oxan-4-yl)methanamine (PubChem CID 131503127) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is (R)-(3-iodophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
PubChem CID131503127
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cccc(I)c1)C1CCOCC1
InChIInChI=1S/C12H16INO/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-/m1/s1
InChIKeyVAMXYHDEJSLJKL-GFCCVEGCSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
[3-(aminomethyl)phenyl]-(oxan-4-yl)methanamine
CID 116937010
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
CID 114603376
(3-chloro-4-iodophenyl)-(oxan-4-yl)methanamine
CID 103215273
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825

Frequently Asked Questions

What is the IUPAC name of (R)-(3-iodophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(3-iodophenyl)-(oxan-4-yl)methanamine (CID 131503127) is (R)-(3-iodophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(3-iodophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(3-iodophenyl)-(oxan-4-yl)methanamine is N[C@@H](c1cccc(I)c1)C1CCOCC1.
What is the InChIKey of (R)-(3-iodophenyl)-(oxan-4-yl)methanamine?
The InChIKey is VAMXYHDEJSLJKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16INO/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-/m1/s1.
What are the key properties of (R)-(3-iodophenyl)-(oxan-4-yl)methanamine?
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine has a molecular weight of 317.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-iodophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131503127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).