(3S,6S)-6-benzhydryloxan-3-amine

C18H21NO — CID 11565229

IUPAC(3S,6S)-6-benzhydryloxan-3-amine
SMILESN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H21NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2/t16-,17-/m0/s1
InChIKeyJVWJBEYBJRKSDY-IRXDYDNUSA-N
MW267.37 g/mol
LogP3.32
Rot. Bonds3

About (3S,6S)-6-benzhydryloxan-3-amine

(3S,6S)-6-benzhydryloxan-3-amine (PubChem CID 11565229) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,6S)-6-benzhydryloxan-3-amine.

Molecular Properties

Compound Name(3S,6S)-6-benzhydryloxan-3-amine
PubChem CID11565229
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S,6S)-6-benzhydryloxan-3-amine
SMILESN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H21NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2/t16-,17-/m0/s1
InChIKeyJVWJBEYBJRKSDY-IRXDYDNUSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-azido-2-benzhydryloxane
CID 73009162
(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
CID 66632050
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
4-[[[(3R,6R)-6-benzhydryloxan-3-yl]amino]methyl]benzonitrile
CID 10022796
(3S,6S)-6-benzhydryl-N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 52951980
N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 69177779
(2R,4S)-2-benzhydryloxan-4-ol
CID 11565243
2-[[oxiran-2-yl(phenyl)methyl]sulfanyl-phenylmethyl]oxirane
CID 54307335
trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
CID 101496989
[oxiran-2-yl(phenyl)methyl] hypobromite
CID 174319949
phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
CID 102280064

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-benzhydryloxan-3-amine?
The IUPAC name of (3S,6S)-6-benzhydryloxan-3-amine (CID 11565229) is (3S,6S)-6-benzhydryloxan-3-amine.
What is the SMILES notation for (3S,6S)-6-benzhydryloxan-3-amine?
The canonical SMILES for (3S,6S)-6-benzhydryloxan-3-amine is N[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of (3S,6S)-6-benzhydryloxan-3-amine?
The InChIKey is JVWJBEYBJRKSDY-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21NO/c19-16-11-12-17(20-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2/t16-,17-/m0/s1.
What are the key properties of (3S,6S)-6-benzhydryloxan-3-amine?
(3S,6S)-6-benzhydryloxan-3-amine has a molecular weight of 267.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-benzhydryloxan-3-amine is sourced from PubChem (CID 11565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).