N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline

C19H24BrNO2 — CID 1210744

IUPACN-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCC
InChIInChI=1S/C19H24BrNO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-11,21H,5-6,12H2,1-4H3
InChIKeyHXLXQLSOQQZQIX-UHFFFAOYSA-N
MW378.31 g/mol
LogP5.48
Rot. Bonds7

About N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline

N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 1210744) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID1210744
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC NameN-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCC
InChIInChI=1S/C19H24BrNO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-11,21H,5-6,12H2,1-4H3
InChIKeyHXLXQLSOQQZQIX-UHFFFAOYSA-N
XLogP5.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-bromo-4-[(2,4-dimethylanilino)methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate
CID 126125527
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dimethylaniline
CID 126128067
N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 5217655
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methylaniline
CID 43755589
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-iodoaniline
CID 63445412
[2-bromo-4-[(2,3-dimethylanilino)methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate
CID 126137762
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 79043030
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline (CID 1210744) is N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline is CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCC.
What is the InChIKey of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is HXLXQLSOQQZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-11,21H,5-6,12H2,1-4H3.
What are the key properties of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 378.31 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 1210744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).