3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol

C15H24BrNO3 — CID 62618326

IUPAC3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-19-10-8-17(9-11-20-2)7-6-15(18)13-4-3-5-14(16)12-13/h3-5,12,15,18H,6-11H2,1-2H3
InChIKeyOGJBSCABPJKZJQ-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.47
Rot. Bonds10

About 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol

3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol (PubChem CID 62618326) has the molecular formula C15H24BrNO3 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
PubChem CID62618326
Molecular FormulaC15H24BrNO3
Molecular Weight346.26 g/mol
Exact Mass345.09
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-19-10-8-17(9-11-20-2)7-6-15(18)13-4-3-5-14(16)12-13/h3-5,12,15,18H,6-11H2,1-2H3
InChIKeyOGJBSCABPJKZJQ-UHFFFAOYSA-N
XLogP2.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol (CID 62618326) is 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol is COCCN(CCOC)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol?
The InChIKey is OGJBSCABPJKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-19-10-8-17(9-11-20-2)7-6-15(18)13-4-3-5-14(16)12-13/h3-5,12,15,18H,6-11H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol?
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol has a molecular weight of 346.26 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 62618326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).