(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine

C23H31NO4 — CID 134865967

IUPAC(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCO[C@@H]1OC(C)[C@@H](OCc2ccccc2)C(N(C)C)C1OCc1ccccc1
InChIInChI=1S/C23H31NO4/c1-17-21(26-15-18-11-7-5-8-12-18)20(24(2)3)22(23(25-4)28-17)27-16-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3/t17?,20?,21-,22?,23-/m1/s1
InChIKeyGGONGSVOSXTCPB-RTWMTPCASA-N
MW385.50 g/mol
LogP3.48
Rot. Bonds8

About (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine

(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine (PubChem CID 134865967) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine.

Molecular Properties

Compound Name(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
PubChem CID134865967
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCO[C@@H]1OC(C)[C@@H](OCc2ccccc2)C(N(C)C)C1OCc1ccccc1
InChIInChI=1S/C23H31NO4/c1-17-21(26-15-18-11-7-5-8-12-18)20(24(2)3)22(23(25-4)28-17)27-16-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3/t17?,20?,21-,22?,23-/m1/s1
InChIKeyGGONGSVOSXTCPB-RTWMTPCASA-N
XLogP3.48
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
(3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methoxymethoxy-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44400032
(3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methoxymethoxy-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44400231
5-(Dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271561
1,3-Dioxolane, 2,2-diphenyl-4-(1-methyl-2-piperidyl)-
CID 59209
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-propylpiperidine
CID 44276033
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-methylpiperidine
CID 44276165
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-ethylpiperidine
CID 44276226
(3S,6S)-3-Benzhydryloxy-6-methoxymethoxy-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44400221
6-Methoxy-2-methyl-5-morpholino-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271564
5-[[(2S,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
CID 9980863
(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine
CID 90667071

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The IUPAC name of (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine (CID 134865967) is (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine.
What is the SMILES notation for (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The canonical SMILES for (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine is CO[C@@H]1OC(C)[C@@H](OCc2ccccc2)C(N(C)C)C1OCc1ccccc1.
What is the InChIKey of (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The InChIKey is GGONGSVOSXTCPB-RTWMTPCASA-N. The full InChI is InChI=1S/C23H31NO4/c1-17-21(26-15-18-11-7-5-8-12-18)20(24(2)3)22(23(25-4)28-17)27-16-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3/t17?,20?,21-,22?,23-/m1/s1.
What are the key properties of (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
(2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine has a molecular weight of 385.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methoxy-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine is sourced from PubChem (CID 134865967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).