1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol

C20H27NO4 — CID 70414430

IUPAC1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOc1cccc(C(CNCC(O)COc2cccc(C)c2)OC)c1
InChIInChI=1S/C20H27NO4/c1-15-6-4-9-19(10-15)25-14-17(22)12-21-13-20(24-3)16-7-5-8-18(11-16)23-2/h4-11,17,20-22H,12-14H2,1-3H3
InChIKeyNUANPBMJTVTXKU-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.72
Rot. Bonds10

About 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol

1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 70414430) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID70414430
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOc1cccc(C(CNCC(O)COc2cccc(C)c2)OC)c1
InChIInChI=1S/C20H27NO4/c1-15-6-4-9-19(10-15)25-14-17(22)12-21-13-20(24-3)16-7-5-8-18(11-16)23-2/h4-11,17,20-22H,12-14H2,1-3H3
InChIKeyNUANPBMJTVTXKU-UHFFFAOYSA-N
XLogP2.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol (CID 70414430) is 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol is COc1cccc(C(CNCC(O)COc2cccc(C)c2)OC)c1.
What is the InChIKey of 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is NUANPBMJTVTXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-15-6-4-9-19(10-15)25-14-17(22)12-21-13-20(24-3)16-7-5-8-18(11-16)23-2/h4-11,17,20-22H,12-14H2,1-3H3.
What are the key properties of 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 345.44 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 70414430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).