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

C15H25BrN2O2 — CID 103523425

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)c(Br)c1OC)C(C)(C)N(C)C
InChIInChI=1S/C15H25BrN2O2/c1-15(2,18(4)5)14(17-3)10-8-9-11(19-6)12(16)13(10)20-7/h8-9,14,17H,1-7H3
InChIKeyXCPYIKXPJYTEQP-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.07
Rot. Bonds6

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

1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (PubChem CID 103523425) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
PubChem CID103523425
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)c(Br)c1OC)C(C)(C)N(C)C
InChIInChI=1S/C15H25BrN2O2/c1-15(2,18(4)5)14(17-3)10-8-9-11(19-6)12(16)13(10)20-7/h8-9,14,17H,1-7H3
InChIKeyXCPYIKXPJYTEQP-UHFFFAOYSA-N
XLogP3.07
TPSA33.73 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053298
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 103523448
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103523429
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 103523381
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961378
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 107513536
tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778
2,2,3,3-tetrafluoro-N-methyl-1-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 79644822

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (CID 103523425) is 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is CNC(c1ccc(OC)c(Br)c1OC)C(C)(C)N(C)C.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The InChIKey is XCPYIKXPJYTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-15(2,18(4)5)14(17-3)10-8-9-11(19-6)12(16)13(10)20-7/h8-9,14,17H,1-7H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine has a molecular weight of 345.28 g/mol, XLogP of 3.07, 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)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 103523425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).