3-bromo-5-(3-ethoxypropoxy)aniline

C11H16BrNO2 — CID 103588246

IUPAC3-bromo-5-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1cc(N)cc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8H,2-5,13H2,1H3
InChIKeyNEZNMSJJHTZDKK-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.84
Rot. Bonds6

About 3-bromo-5-(3-ethoxypropoxy)aniline

3-bromo-5-(3-ethoxypropoxy)aniline (PubChem CID 103588246) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-bromo-5-(3-ethoxypropoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-(3-ethoxypropoxy)aniline
PubChem CID103588246
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-bromo-5-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1cc(N)cc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8H,2-5,13H2,1H3
InChIKeyNEZNMSJJHTZDKK-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.84
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

3-bromo-5-octoxyaniline
CID 103588114
3-bromo-5-(2-ethylsulfanylethoxy)aniline
CID 103588150
3-(3-amino-5-bromophenoxy)propan-1-ol
CID 103588186
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
3-bromo-5-(2-ethylsulfonylethoxy)aniline
CID 103588124
3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 103588205
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
3-bromo-5-(2-cyclopropylethoxy)aniline
CID 103588286
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
4-(3-ethoxypropoxy)aniline
CID 43365878
5-(3-amino-5-bromophenoxy)pentanenitrile
CID 103588013

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-ethoxypropoxy)aniline?
The IUPAC name of 3-bromo-5-(3-ethoxypropoxy)aniline (CID 103588246) is 3-bromo-5-(3-ethoxypropoxy)aniline.
What is the SMILES notation for 3-bromo-5-(3-ethoxypropoxy)aniline?
The canonical SMILES for 3-bromo-5-(3-ethoxypropoxy)aniline is CCOCCCOc1cc(N)cc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-ethoxypropoxy)aniline?
The InChIKey is NEZNMSJJHTZDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-2-14-4-3-5-15-11-7-9(12)6-10(13)8-11/h6-8H,2-5,13H2,1H3.
What are the key properties of 3-bromo-5-(3-ethoxypropoxy)aniline?
3-bromo-5-(3-ethoxypropoxy)aniline has a molecular weight of 274.16 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-ethoxypropoxy)aniline is sourced from PubChem (CID 103588246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).