1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine

C14H23BrN2O — CID 116855759

IUPAC1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(CN)N(C)C
InChIInChI=1S/C14H23BrN2O/c1-8-9(2)14(18-6)12(10(3)13(8)15)11(7-16)17(4)5/h11H,7,16H2,1-6H3
InChIKeyMNUYKWPKKFQJPT-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.94
Rot. Bonds4

About 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine

1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116855759) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID116855759
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(CN)N(C)C
InChIInChI=1S/C14H23BrN2O/c1-8-9(2)14(18-6)12(10(3)13(8)15)11(7-16)17(4)5/h11H,7,16H2,1-6H3
InChIKeyMNUYKWPKKFQJPT-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-(dimethylamino)propanenitrile
CID 116910004
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116848856
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 116834918
4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116940096
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115261045
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine (CID 116855759) is 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine is COc1c(C)c(C)c(Br)c(C)c1C(CN)N(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is MNUYKWPKKFQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-8-9(2)14(18-6)12(10(3)13(8)15)11(7-16)17(4)5/h11H,7,16H2,1-6H3.
What are the key properties of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine?
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116855759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).