1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol

C20H26ClNO3 — CID 18459606

IUPAC1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H26ClNO3/c1-20(2,12-15-7-9-18(24-3)10-8-15)22-13-17(23)14-25-19-6-4-5-16(21)11-19/h4-11,17,22-23H,12-14H2,1-3H3
InChIKeyXSQNZUXNBTZEKA-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.70
Rot. Bonds9

About 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol

1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol (PubChem CID 18459606) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
PubChem CID18459606
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H26ClNO3/c1-20(2,12-15-7-9-18(24-3)10-8-15)22-13-17(23)14-25-19-6-4-5-16(21)11-19/h4-11,17,22-23H,12-14H2,1-3H3
InChIKeyXSQNZUXNBTZEKA-UHFFFAOYSA-N
XLogP3.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol (CID 18459606) is 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol is COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The InChIKey is XSQNZUXNBTZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-20(2,12-15-7-9-18(24-3)10-8-15)22-13-17(23)14-25-19-6-4-5-16(21)11-19/h4-11,17,22-23H,12-14H2,1-3H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol has a molecular weight of 363.89 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 18459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).