2-(2-bromo-4-methylphenoxy)-4-chloroaniline

C13H11BrClNO — CID 113315875

IUPAC2-(2-bromo-4-methylphenoxy)-4-chloroaniline
SMILESCc1ccc(Oc2cc(Cl)ccc2N)c(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-8-2-5-12(10(14)6-8)17-13-7-9(15)3-4-11(13)16/h2-7H,16H2,1H3
InChIKeyUHDZRWIGNGORFG-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.79
Rot. Bonds2

About 2-(2-bromo-4-methylphenoxy)-4-chloroaniline

2-(2-bromo-4-methylphenoxy)-4-chloroaniline (PubChem CID 113315875) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-4-chloroaniline.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-4-chloroaniline
PubChem CID113315875
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name2-(2-bromo-4-methylphenoxy)-4-chloroaniline
SMILESCc1ccc(Oc2cc(Cl)ccc2N)c(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-8-2-5-12(10(14)6-8)17-13-7-9(15)3-4-11(13)16/h2-7H,16H2,1H3
InChIKeyUHDZRWIGNGORFG-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.79
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

2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
2-[2-bromo-4-(trifluoromethyl)phenoxy]-4-chloroaniline
CID 115511836
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
CID 83008306
2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-4-chloroaniline?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-4-chloroaniline (CID 113315875) is 2-(2-bromo-4-methylphenoxy)-4-chloroaniline.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-4-chloroaniline?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-4-chloroaniline is Cc1ccc(Oc2cc(Cl)ccc2N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-4-chloroaniline?
The InChIKey is UHDZRWIGNGORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-2-5-12(10(14)6-8)17-13-7-9(15)3-4-11(13)16/h2-7H,16H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-4-chloroaniline?
2-(2-bromo-4-methylphenoxy)-4-chloroaniline has a molecular weight of 312.59 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-4-chloroaniline is sourced from PubChem (CID 113315875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).