4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline

C15H16BrNO2 — CID 82827978

IUPAC4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
SMILESNc1ccc(OCCOCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-3-1-2-12(10-13)11-18-8-9-19-15-6-4-14(17)5-7-15/h1-7,10H,8-9,11,17H2
InChIKeySUYJMWJPZZUBOM-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.63
Rot. Bonds6

About 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline

4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline (PubChem CID 82827978) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
PubChem CID82827978
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
SMILESNc1ccc(OCCOCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-3-1-2-12(10-13)11-18-8-9-19-15-6-4-14(17)5-7-15/h1-7,10H,8-9,11,17H2
InChIKeySUYJMWJPZZUBOM-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
1-bromo-3-(3-chloropropoxymethyl)benzene
CID 82828412
1-bromo-3-(propoxymethyl)benzene
CID 57057286
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
3-[3-[(3-bromophenyl)methoxy]propoxy]benzonitrile
CID 82807937
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
4-[2-(2,6-dibromophenoxy)ethoxy]aniline
CID 43366084
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline?
The IUPAC name of 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline (CID 82827978) is 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline.
What is the SMILES notation for 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline?
The canonical SMILES for 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline is Nc1ccc(OCCOCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline?
The InChIKey is SUYJMWJPZZUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-13-3-1-2-12(10-13)11-18-8-9-19-15-6-4-14(17)5-7-15/h1-7,10H,8-9,11,17H2.
What are the key properties of 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline?
4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline has a molecular weight of 322.20 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline is sourced from PubChem (CID 82827978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).