1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H24Br2N2O2 — CID 103838813

IUPAC1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCOc1c(Br)cc(CNCC(C)(O)CN(C)C)cc1Br
InChIInChI=1S/C15H24Br2N2O2/c1-5-21-14-12(16)6-11(7-13(14)17)8-18-9-15(2,20)10-19(3)4/h6-7,18,20H,5,8-10H2,1-4H3
InChIKeyZEDXFSIUVSLKHW-UHFFFAOYSA-N
MW424.18 g/mol
LogP3.01
Rot. Bonds8

About 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103838813) has the molecular formula C15H24Br2N2O2 and a molecular weight of 424.18 g/mol. Its IUPAC name is 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103838813
Molecular FormulaC15H24Br2N2O2
Molecular Weight424.18 g/mol
Exact Mass422.02
IUPAC Name1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCOc1c(Br)cc(CNCC(C)(O)CN(C)C)cc1Br
InChIInChI=1S/C15H24Br2N2O2/c1-5-21-14-12(16)6-11(7-13(14)17)8-18-9-15(2,20)10-19(3)4/h6-7,18,20H,5,8-10H2,1-4H3
InChIKeyZEDXFSIUVSLKHW-UHFFFAOYSA-N
XLogP3.01
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17159816
1-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128629
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
1-[(2-bromo-5-chlorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838920
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141876
3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propan-1-ol
CID 43220362
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 107742092
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838949
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17155625
3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propanoic acid
CID 43774802

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103838813) is 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CCOc1c(Br)cc(CNCC(C)(O)CN(C)C)cc1Br.
What is the InChIKey of 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is ZEDXFSIUVSLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2N2O2/c1-5-21-14-12(16)6-11(7-13(14)17)8-18-9-15(2,20)10-19(3)4/h6-7,18,20H,5,8-10H2,1-4H3.
What are the key properties of 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 424.18 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).