N-bromo-N-ethyl-2,5-dimethoxyaniline

C10H14BrNO2 — CID 21117287

IUPACN-bromo-N-ethyl-2,5-dimethoxyaniline
SMILESCCN(Br)c1cc(OC)ccc1OC
InChIInChI=1S/C10H14BrNO2/c1-4-12(11)9-7-8(13-2)5-6-10(9)14-3/h5-7H,4H2,1-3H3
InChIKeyBICILUYJGSAQAE-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.84
Rot. Bonds4

About N-bromo-N-ethyl-2,5-dimethoxyaniline

N-bromo-N-ethyl-2,5-dimethoxyaniline (PubChem CID 21117287) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-bromo-N-ethyl-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-bromo-N-ethyl-2,5-dimethoxyaniline
PubChem CID21117287
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-bromo-N-ethyl-2,5-dimethoxyaniline
SMILESCCN(Br)c1cc(OC)ccc1OC
InChIInChI=1S/C10H14BrNO2/c1-4-12(11)9-7-8(13-2)5-6-10(9)14-3/h5-7H,4H2,1-3H3
InChIKeyBICILUYJGSAQAE-UHFFFAOYSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
CID 133150447
N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
CID 54211346
3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 112510147
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-ethyl-2,5-dimethoxyaniline?
The IUPAC name of N-bromo-N-ethyl-2,5-dimethoxyaniline (CID 21117287) is N-bromo-N-ethyl-2,5-dimethoxyaniline.
What is the SMILES notation for N-bromo-N-ethyl-2,5-dimethoxyaniline?
The canonical SMILES for N-bromo-N-ethyl-2,5-dimethoxyaniline is CCN(Br)c1cc(OC)ccc1OC.
What is the InChIKey of N-bromo-N-ethyl-2,5-dimethoxyaniline?
The InChIKey is BICILUYJGSAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-4-12(11)9-7-8(13-2)5-6-10(9)14-3/h5-7H,4H2,1-3H3.
What are the key properties of N-bromo-N-ethyl-2,5-dimethoxyaniline?
N-bromo-N-ethyl-2,5-dimethoxyaniline has a molecular weight of 260.13 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-ethyl-2,5-dimethoxyaniline is sourced from PubChem (CID 21117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).