1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine

C15H25BrN2O2 — CID 103523429

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1ccc(OC)c(Br)c1OC)N(C)C
InChIInChI=1S/C15H25BrN2O2/c1-7-15(2,18(3)4)14(17)10-8-9-11(19-5)12(16)13(10)20-6/h8-9,14H,7,17H2,1-6H3
InChIKeyNQUQXKLUVOXNMA-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.20
Rot. Bonds6

About 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine

1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 103523429) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID103523429
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1ccc(OC)c(Br)c1OC)N(C)C
InChIInChI=1S/C15H25BrN2O2/c1-7-15(2,18(3)4)14(17)10-8-9-11(19-5)12(16)13(10)20-6/h8-9,14H,7,17H2,1-6H3
InChIKeyNQUQXKLUVOXNMA-UHFFFAOYSA-N
XLogP3.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(2,6-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 116810559
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 103523448
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
1-(3-bromo-2,4-dimethoxyphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 103523078
3-bromo-1-(1-chloro-3-methylpentyl)-2,4-dimethoxybenzene
CID 114876269
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 103523429) is 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine is CCC(C)(C(N)c1ccc(OC)c(Br)c1OC)N(C)C.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is NQUQXKLUVOXNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-7-15(2,18(3)4)14(17)10-8-9-11(19-5)12(16)13(10)20-6/h8-9,14H,7,17H2,1-6H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 345.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 103523429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).