3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline

C15H16BrNO — CID 107283479

IUPAC3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Br)cc1OC(C)c1cccc(N)c1
InChIInChI=1S/C15H16BrNO/c1-10-6-7-13(16)9-15(10)18-11(2)12-4-3-5-14(17)8-12/h3-9,11H,17H2,1-2H3
InChIKeyMZRIPDHETRYENQ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.48
Rot. Bonds3

About 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline

3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline (PubChem CID 107283479) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
PubChem CID107283479
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Br)cc1OC(C)c1cccc(N)c1
InChIInChI=1S/C15H16BrNO/c1-10-6-7-13(16)9-15(10)18-11(2)12-4-3-5-14(17)8-12/h3-9,11H,17H2,1-2H3
InChIKeyMZRIPDHETRYENQ-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.48
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-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
3-[1-(3-bromo-5-fluorophenoxy)ethyl]aniline
CID 81322603
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
3-[1-(4-bromophenyl)ethyl]aniline
CID 155293877
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
CID 61263144
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline?
The IUPAC name of 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline (CID 107283479) is 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline is Cc1ccc(Br)cc1OC(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline?
The InChIKey is MZRIPDHETRYENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-6-7-13(16)9-15(10)18-11(2)12-4-3-5-14(17)8-12/h3-9,11H,17H2,1-2H3.
What are the key properties of 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline?
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 107283479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).