(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol

C24H34N2O4 — CID 93162217

IUPAC(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-20-4-3-5-21(16-20)17-26(11-10-25-12-14-29-15-13-25)18-22(27)19-30-24-8-6-23(28-2)7-9-24/h3-9,16,22,27H,10-15,17-19H2,1-2H3/t22-/m0/s1
InChIKeyNNWRIAWOXFWQOY-QFIPXVFZSA-N
MW414.55 g/mol
LogP2.58
Rot. Bonds11

About (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol

(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol (PubChem CID 93162217) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
PubChem CID93162217
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-20-4-3-5-21(16-20)17-26(11-10-25-12-14-29-15-13-25)18-22(27)19-30-24-8-6-23(28-2)7-9-24/h3-9,16,22,27H,10-15,17-19H2,1-2H3/t22-/m0/s1
InChIKeyNNWRIAWOXFWQOY-QFIPXVFZSA-N
XLogP2.58
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162210
1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
CID 24714634
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 46007761
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol (CID 93162217) is (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol is COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?
The InChIKey is NNWRIAWOXFWQOY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-20-4-3-5-21(16-20)17-26(11-10-25-12-14-29-15-13-25)18-22(27)19-30-24-8-6-23(28-2)7-9-24/h3-9,16,22,27H,10-15,17-19H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol?
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol has a molecular weight of 414.55 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 93162217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).