4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline

C14H13BrClNO2 — CID 62112283

IUPAC4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
SMILESNc1ccc(OCCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C14H13BrClNO2/c15-10-1-3-11(4-2-10)18-7-8-19-12-5-6-14(17)13(16)9-12/h1-6,9H,7-8,17H2
InChIKeyGMLZRSNLISWLTN-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline

4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline (PubChem CID 62112283) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
PubChem CID62112283
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
SMILESNc1ccc(OCCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C14H13BrClNO2/c15-10-1-3-11(4-2-10)18-7-8-19-12-5-6-14(17)13(16)9-12/h1-6,9H,7-8,17H2
InChIKeyGMLZRSNLISWLTN-UHFFFAOYSA-N
XLogP4.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.14
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

2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587870
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-chloro-4-(4-methoxybutoxy)aniline
CID 104646773
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721688
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-chloro-4-(2,2,2-trifluoroethoxymethoxy)aniline
CID 106704391
5-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 114380825
[3,5-dibromo-4-[2-(4-bromophenoxy)ethoxy]phenyl]methanamine
CID 107741280
2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
CID 107498125

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline?
The IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline (CID 62112283) is 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline is Nc1ccc(OCCOc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline?
The InChIKey is GMLZRSNLISWLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c15-10-1-3-11(4-2-10)18-7-8-19-12-5-6-14(17)13(16)9-12/h1-6,9H,7-8,17H2.
What are the key properties of 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline?
4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline has a molecular weight of 342.62 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline is sourced from PubChem (CID 62112283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).