1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C22H31NO4 — CID 58991188

IUPAC1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C22H31NO4/c1-16(24)14-26-20-9-5-17(6-10-20)22(2,3)18-7-11-21(12-8-18)27-15-19(25)13-23-4/h5-12,16,19,23-25H,13-15H2,1-4H3
InChIKeyGWIJAZHQGLQTIY-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.73
Rot. Bonds10

About 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 58991188) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID58991188
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C22H31NO4/c1-16(24)14-26-20-9-5-17(6-10-20)22(2,3)18-7-11-21(12-8-18)27-15-19(25)13-23-4/h5-12,16,19,23-25H,13-15H2,1-4H3
InChIKeyGWIJAZHQGLQTIY-UHFFFAOYSA-N
XLogP2.73
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134419560
1-(aminomethylamino)-3-[4-[2-[4-[3-(aminomethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 58779484
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
CID 63647814
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1-fluoro-3-[4-[2-[4-(2-hydroxy-3-phosphanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 143919875
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 58991188) is 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is GWIJAZHQGLQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-16(24)14-26-20-9-5-17(6-10-20)22(2,3)18-7-11-21(12-8-18)27-15-19(25)13-23-4/h5-12,16,19,23-25H,13-15H2,1-4H3.
What are the key properties of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 373.49 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 58991188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).