3-bromo-5-(2-cyclopropylethoxy)aniline

C11H14BrNO — CID 103588286

IUPAC3-bromo-5-(2-cyclopropylethoxy)aniline
SMILESNc1cc(Br)cc(OCCC2CC2)c1
InChIInChI=1S/C11H14BrNO/c12-9-5-10(13)7-11(6-9)14-4-3-8-1-2-8/h5-8H,1-4,13H2
InChIKeyZBWBYTQDIPEHHF-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.21
Rot. Bonds4

About 3-bromo-5-(2-cyclopropylethoxy)aniline

3-bromo-5-(2-cyclopropylethoxy)aniline (PubChem CID 103588286) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-5-(2-cyclopropylethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-(2-cyclopropylethoxy)aniline
PubChem CID103588286
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-5-(2-cyclopropylethoxy)aniline
SMILESNc1cc(Br)cc(OCCC2CC2)c1
InChIInChI=1S/C11H14BrNO/c12-9-5-10(13)7-11(6-9)14-4-3-8-1-2-8/h5-8H,1-4,13H2
InChIKeyZBWBYTQDIPEHHF-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
3-(3-amino-5-bromophenoxy)propan-1-ol
CID 103588186
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
3-bromo-5-(3-ethoxypropoxy)aniline
CID 103588246
3-bromo-5-octoxyaniline
CID 103588114
3-bromo-5-(2-cyclobutylethoxy)benzonitrile
CID 106201558
3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 103588205
3-bromo-5-(2-ethylsulfonylethoxy)aniline
CID 103588124
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
5-(3-amino-5-bromophenoxy)pentanenitrile
CID 103588013
3-bromo-5-(2-ethylsulfanylethoxy)aniline
CID 103588150
3-bromo-5-(2,2-difluoroethoxy)aniline
CID 99770347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-cyclopropylethoxy)aniline?
The IUPAC name of 3-bromo-5-(2-cyclopropylethoxy)aniline (CID 103588286) is 3-bromo-5-(2-cyclopropylethoxy)aniline.
What is the SMILES notation for 3-bromo-5-(2-cyclopropylethoxy)aniline?
The canonical SMILES for 3-bromo-5-(2-cyclopropylethoxy)aniline is Nc1cc(Br)cc(OCCC2CC2)c1.
What is the InChIKey of 3-bromo-5-(2-cyclopropylethoxy)aniline?
The InChIKey is ZBWBYTQDIPEHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-5-10(13)7-11(6-9)14-4-3-8-1-2-8/h5-8H,1-4,13H2.
What are the key properties of 3-bromo-5-(2-cyclopropylethoxy)aniline?
3-bromo-5-(2-cyclopropylethoxy)aniline has a molecular weight of 256.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-cyclopropylethoxy)aniline is sourced from PubChem (CID 103588286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).