(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine

C23H31NO4 — CID 155910827

IUPAC(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-16(2)20-14-24(15-21(28-20)17-9-7-6-8-10-17)13-18-11-12-19(25-3)23(27-5)22(18)26-4/h6-12,16,20-21H,13-15H2,1-5H3/t20-,21+/m1/s1
InChIKeyLZACWTLBJQFSOD-RTWAWAEBSA-N
MW385.50 g/mol
LogP4.31
Rot. Bonds7

About (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine

(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine (PubChem CID 155910827) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
PubChem CID155910827
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-16(2)20-14-24(15-21(28-20)17-9-7-6-8-10-17)13-18-11-12-19(25-3)23(27-5)22(18)26-4/h6-12,16,20-21H,13-15H2,1-5H3/t20-,21+/m1/s1
InChIKeyLZACWTLBJQFSOD-RTWAWAEBSA-N
XLogP4.31
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine with MolForge

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Related Compounds

2-methoxy-5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]benzoic acid
CID 155915234
methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate
CID 155509189
(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine
CID 134708049
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
7-methyl-2-thiophen-3-yl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 45179297
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
(3S,4R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120760275
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 45355062
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The IUPAC name of (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine (CID 155910827) is (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine is COc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(OC)c1OC.
What is the InChIKey of (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The InChIKey is LZACWTLBJQFSOD-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H31NO4/c1-16(2)20-14-24(15-21(28-20)17-9-7-6-8-10-17)13-18-11-12-19(25-3)23(27-5)22(18)26-4/h6-12,16,20-21H,13-15H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine has a molecular weight of 385.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 155910827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).