(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine

C25H27NO — CID 73057974

IUPAC(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
SMILESc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C25H27NO/c1-4-10-20(11-5-1)16-17-26-23-18-24(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
InChIKeyRGYZGJKKKYQJQI-ZEQRLZLVSA-N
MW357.50 g/mol
LogP4.81
Rot. Bonds7

About (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine

(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine (PubChem CID 73057974) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
PubChem CID73057974
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
SMILESc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C25H27NO/c1-4-10-20(11-5-1)16-17-26-23-18-24(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
InChIKeyRGYZGJKKKYQJQI-ZEQRLZLVSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine?
The IUPAC name of (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine (CID 73057974) is (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine.
What is the SMILES notation for (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine?
The canonical SMILES for (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine is c1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine?
The InChIKey is RGYZGJKKKYQJQI-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-10-20(11-5-1)16-17-26-23-18-24(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,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine?
(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine has a molecular weight of 357.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine is sourced from PubChem (CID 73057974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).