3-(4-bromophenyl)-2,4-dimethoxyaniline

C14H14BrNO2 — CID 174856580

IUPAC3-(4-bromophenyl)-2,4-dimethoxyaniline
SMILESCOc1ccc(N)c(OC)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-17-12-8-7-11(16)14(18-2)13(12)9-3-5-10(15)6-4-9/h3-8H,16H2,1-2H3
InChIKeyDEALJGDDXKVYEK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.72
Rot. Bonds3

About 3-(4-bromophenyl)-2,4-dimethoxyaniline

3-(4-bromophenyl)-2,4-dimethoxyaniline (PubChem CID 174856580) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,4-dimethoxyaniline.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,4-dimethoxyaniline
PubChem CID174856580
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-(4-bromophenyl)-2,4-dimethoxyaniline
SMILESCOc1ccc(N)c(OC)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-17-12-8-7-11(16)14(18-2)13(12)9-3-5-10(15)6-4-9/h3-8H,16H2,1-2H3
InChIKeyDEALJGDDXKVYEK-UHFFFAOYSA-N
XLogP3.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-3-phenylaniline
CID 165495221
2,3,4-trimethoxyaniline
CID 15455622
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde
CID 91174608
4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline
CID 130200071
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
4-methoxy-2,3-dimethylaniline
CID 11094809
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(3-bromophenyl)-2-methoxyaniline
CID 115503810

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,4-dimethoxyaniline?
The IUPAC name of 3-(4-bromophenyl)-2,4-dimethoxyaniline (CID 174856580) is 3-(4-bromophenyl)-2,4-dimethoxyaniline.
What is the SMILES notation for 3-(4-bromophenyl)-2,4-dimethoxyaniline?
The canonical SMILES for 3-(4-bromophenyl)-2,4-dimethoxyaniline is COc1ccc(N)c(OC)c1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,4-dimethoxyaniline?
The InChIKey is DEALJGDDXKVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-12-8-7-11(16)14(18-2)13(12)9-3-5-10(15)6-4-9/h3-8H,16H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2,4-dimethoxyaniline?
3-(4-bromophenyl)-2,4-dimethoxyaniline has a molecular weight of 308.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,4-dimethoxyaniline is sourced from PubChem (CID 174856580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).