(2R,3S)-2-phenyloxan-3-amine

C11H15NO — CID 131044940

IUPAC(2R,3S)-2-phenyloxan-3-amine
SMILESN[C@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11+/m0/s1
InChIKeyMKVQAWAZBSCPFQ-WDEREUQCSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds1

About (2R,3S)-2-phenyloxan-3-amine

(2R,3S)-2-phenyloxan-3-amine (PubChem CID 131044940) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2R,3S)-2-phenyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-phenyloxan-3-amine
PubChem CID131044940
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2R,3S)-2-phenyloxan-3-amine
SMILESN[C@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11+/m0/s1
InChIKeyMKVQAWAZBSCPFQ-WDEREUQCSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyloxan-3-amine?
The IUPAC name of (2R,3S)-2-phenyloxan-3-amine (CID 131044940) is (2R,3S)-2-phenyloxan-3-amine.
What is the SMILES notation for (2R,3S)-2-phenyloxan-3-amine?
The canonical SMILES for (2R,3S)-2-phenyloxan-3-amine is N[C@H]1CCCO[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-phenyloxan-3-amine?
The InChIKey is MKVQAWAZBSCPFQ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-2-phenyloxan-3-amine?
(2R,3S)-2-phenyloxan-3-amine has a molecular weight of 177.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyloxan-3-amine is sourced from PubChem (CID 131044940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).