(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine

C25H27NO — CID 58657600

IUPAC(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine
SMILESc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1
InChIInChI=1S/C25H27NO/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24-/m0/s1
InChIKeyOYQMNQGXQHVGEN-ZEQRLZLVSA-N
MW357.50 g/mol
LogP5.16
Rot. Bonds6

About (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine

(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine (PubChem CID 58657600) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine.

Molecular Properties

Compound Name(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine
PubChem CID58657600
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine
SMILESc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1
InChIInChI=1S/C25H27NO/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24-/m0/s1
InChIKeyOYQMNQGXQHVGEN-ZEQRLZLVSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine?
The IUPAC name of (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine (CID 58657600) is (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine.
What is the SMILES notation for (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine?
The canonical SMILES for (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine is c1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1.
What is the InChIKey of (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine?
The InChIKey is OYQMNQGXQHVGEN-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine?
(3S,6S)-6-benzhydryl-N-benzyloxan-3-amine has a molecular weight of 357.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-benzhydryl-N-benzyloxan-3-amine is sourced from PubChem (CID 58657600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).