4-bromo-2-(2-ethoxyethoxy)aniline

C10H14BrNO2 — CID 65342534

IUPAC4-bromo-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyGAXBVHDICLAZQP-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.45
Rot. Bonds5

About 4-bromo-2-(2-ethoxyethoxy)aniline

4-bromo-2-(2-ethoxyethoxy)aniline (PubChem CID 65342534) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-2-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(2-ethoxyethoxy)aniline
PubChem CID65342534
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-bromo-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyGAXBVHDICLAZQP-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline
CID 123923129
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-ethoxyethoxy)aniline?
The IUPAC name of 4-bromo-2-(2-ethoxyethoxy)aniline (CID 65342534) is 4-bromo-2-(2-ethoxyethoxy)aniline.
What is the SMILES notation for 4-bromo-2-(2-ethoxyethoxy)aniline?
The canonical SMILES for 4-bromo-2-(2-ethoxyethoxy)aniline is CCOCCOc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(2-ethoxyethoxy)aniline?
The InChIKey is GAXBVHDICLAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 4-bromo-2-(2-ethoxyethoxy)aniline?
4-bromo-2-(2-ethoxyethoxy)aniline has a molecular weight of 260.13 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 65342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).