1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

C19H24BrNO3 — CID 4875211

IUPAC1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C19H24BrNO3/c1-3-23-18-9-7-15(8-10-18)12-21(2)13-17(22)14-24-19-6-4-5-16(20)11-19/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyUDKMKYPBOFYDPM-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.72
Rot. Bonds9

About 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 4875211) has the molecular formula C19H24BrNO3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID4875211
Molecular FormulaC19H24BrNO3
Molecular Weight394.31 g/mol
Exact Mass393.09
IUPAC Name1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C19H24BrNO3/c1-3-23-18-9-7-15(8-10-18)12-21(2)13-17(22)14-24-19-6-4-5-16(20)11-19/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyUDKMKYPBOFYDPM-UHFFFAOYSA-N
XLogP3.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (CID 4875211) is 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is CCOc1ccc(CN(C)CC(O)COc2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is UDKMKYPBOFYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3/c1-3-23-18-9-7-15(8-10-18)12-21(2)13-17(22)14-24-19-6-4-5-16(20)11-19/h4-11,17,22H,3,12-14H2,1-2H3.
What are the key properties of 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 394.31 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 4875211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).