[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine

C22H29NO3 — CID 170420233

IUPAC[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
SMILESC[C@@H]1[C@H](OCc2ccccc2)[C@H](CN)CO[C@@H]1COCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-17-21(16-24-13-18-8-4-2-5-9-18)25-15-20(12-23)22(17)26-14-19-10-6-3-7-11-19/h2-11,17,20-22H,12-16,23H2,1H3/t17-,20+,21+,22-/m0/s1
InChIKeyWMQKTBSIEKBLTN-UPZYVNNASA-N
MW355.48 g/mol
LogP3.40
Rot. Bonds8

About [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine

[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine (PubChem CID 170420233) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
PubChem CID170420233
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
SMILESC[C@@H]1[C@H](OCc2ccccc2)[C@H](CN)CO[C@@H]1COCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-17-21(16-24-13-18-8-4-2-5-9-18)25-15-20(12-23)22(17)26-14-19-10-6-3-7-11-19/h2-11,17,20-22H,12-16,23H2,1H3/t17-,20+,21+,22-/m0/s1
InChIKeyWMQKTBSIEKBLTN-UPZYVNNASA-N
XLogP3.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine with MolForge

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Related Compounds

5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
CID 174153826
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine
CID 175827972
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2,2,2-trifluoro-N-[(3S,4S,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 174153791
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
N-[[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]methyl]acetamide
CID 156818521
(2R,4S,5S)-2-chloro-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90859316
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine?
The IUPAC name of [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine (CID 170420233) is [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine?
The canonical SMILES for [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine is C[C@@H]1[C@H](OCc2ccccc2)[C@H](CN)CO[C@@H]1COCc1ccccc1.
What is the InChIKey of [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine?
The InChIKey is WMQKTBSIEKBLTN-UPZYVNNASA-N. The full InChI is InChI=1S/C22H29NO3/c1-17-21(16-24-13-18-8-4-2-5-9-18)25-15-20(12-23)22(17)26-14-19-10-6-3-7-11-19/h2-11,17,20-22H,12-16,23H2,1H3/t17-,20+,21+,22-/m0/s1.
What are the key properties of [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine?
[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine has a molecular weight of 355.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 170420233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).