(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol

C25H27NO2 — CID 71461604

IUPAC(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol
SMILESOC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23?,24+/m0/s1
InChIKeyXXLPQPDHXVTHMM-LIDAZEJRSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds6

About (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol

(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol (PubChem CID 71461604) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol.

Molecular Properties

Compound Name(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol
PubChem CID71461604
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol
SMILESOC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23?,24+/m0/s1
InChIKeyXXLPQPDHXVTHMM-LIDAZEJRSA-N
XLogP4.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-154 (FDA NDC: 58264-0165)
CID 71449121
D-153 (FDA NDC: 58264-0164)
CID 71452722
(2R)-1-[[(3S,6S)-6-benzhydrylpiperidin-3-yl]amino]-3-phenylpropan-2-ol
CID 16040321
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(1-hydroxy-2-phenylethyl)-1,3-diazinan-2-one
CID 5327552
(2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro-2H-pyran-4-ol
CID 11394704
cis-(6-Benzhydryl-tetrahydropyran-3-yl)-(4-amino-benzyl)-amine
CID 11510954
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-aminobenzyl)amine
CID 11538007
(2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-tetrahydropyran-4-ol
CID 11552844
(2R,4S,5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)-tetrahydropyran-4-ol
CID 11560174
(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
4-[(6-Benzhydryl-tetrahydro-pyran-3-ylamino)-methyl]-benzonitrile
CID 44287648
(S)-1-[(3S,6S)-6-benzhydrylpiperidin-3-ylamino)-3-phenylpropan-2-ol
CID 44450675

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The IUPAC name of (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol (CID 71461604) is (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol.
What is the SMILES notation for (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The canonical SMILES for (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol is OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1.
What is the InChIKey of (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The InChIKey is XXLPQPDHXVTHMM-LIDAZEJRSA-N. The full InChI is InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23?,24+/m0/s1.
What are the key properties of (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol has a molecular weight of 373.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol is sourced from PubChem (CID 71461604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).