5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline

C12H20BrN3O — CID 115260712

IUPAC5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)CNN
InChIInChI=1S/C12H20BrN3O/c1-7-8(2)12(17-5)11(9(3)10(7)13)16(4)6-15-14/h15H,6,14H2,1-5H3
InChIKeyFEPCTXZWCMZUCX-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.24
Rot. Bonds4

About 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline

5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline (PubChem CID 115260712) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline.

Molecular Properties

Compound Name5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
PubChem CID115260712
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)CNN
InChIInChI=1S/C12H20BrN3O/c1-7-8(2)12(17-5)11(9(3)10(7)13)16(4)6-15-14/h15H,6,14H2,1-5H3
InChIKeyFEPCTXZWCMZUCX-UHFFFAOYSA-N
XLogP2.24
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115261045
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
CID 115207465
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138956
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The IUPAC name of 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline (CID 115260712) is 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline.
What is the SMILES notation for 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The canonical SMILES for 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline is COc1c(C)c(C)c(Br)c(C)c1N(C)CNN.
What is the InChIKey of 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The InChIKey is FEPCTXZWCMZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-7-8(2)12(17-5)11(9(3)10(7)13)16(4)6-15-14/h15H,6,14H2,1-5H3.
What are the key properties of 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline has a molecular weight of 302.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline is sourced from PubChem (CID 115260712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).