5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine

C27H31NO3 — CID 175827972

IUPAC5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine
SMILESNC1COC(COCc2ccccc2)C(Cc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H31NO3/c28-25-19-30-26(20-29-17-22-12-6-2-7-13-22)24(16-21-10-4-1-5-11-21)27(25)31-18-23-14-8-3-9-15-23/h1-15,24-27H,16-20,28H2
InChIKeyBHKDDAZZSUIIEF-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.37
Rot. Bonds9

About 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine

5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine (PubChem CID 175827972) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine
PubChem CID175827972
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine
SMILESNC1COC(COCc2ccccc2)C(Cc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H31NO3/c28-25-19-30-26(20-29-17-22-12-6-2-7-13-22)24(16-21-10-4-1-5-11-21)27(25)31-18-23-14-8-3-9-15-23/h1-15,24-27H,16-20,28H2
InChIKeyBHKDDAZZSUIIEF-UHFFFAOYSA-N
XLogP4.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
CID 170420233
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(3R,3aR,5R,6R,7R,7aS)-3-benzyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran
CID 139265887
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-thiol
CID 102407549

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine?
The IUPAC name of 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine (CID 175827972) is 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine.
What is the SMILES notation for 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine?
The canonical SMILES for 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine is NC1COC(COCc2ccccc2)C(Cc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine?
The InChIKey is BHKDDAZZSUIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c28-25-19-30-26(20-29-17-22-12-6-2-7-13-22)24(16-21-10-4-1-5-11-21)27(25)31-18-23-14-8-3-9-15-23/h1-15,24-27H,16-20,28H2.
What are the key properties of 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine?
5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine has a molecular weight of 417.55 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine is sourced from PubChem (CID 175827972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).