4-bromo-3-ethoxy-N-methylaniline

C9H12BrNO — CID 175242826

IUPAC4-bromo-3-ethoxy-N-methylaniline
SMILESCCOc1cc(NC)ccc1Br
InChIInChI=1S/C9H12BrNO/c1-3-12-9-6-7(11-2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyQGVSQBAPGKYCAW-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.89
Rot. Bonds3

About 4-bromo-3-ethoxy-N-methylaniline

4-bromo-3-ethoxy-N-methylaniline (PubChem CID 175242826) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-methylaniline.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-methylaniline
PubChem CID175242826
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name4-bromo-3-ethoxy-N-methylaniline
SMILESCCOc1cc(NC)ccc1Br
InChIInChI=1S/C9H12BrNO/c1-3-12-9-6-7(11-2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyQGVSQBAPGKYCAW-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-ethoxyphenyl)formamide
CID 143337973
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-bromo-3-ethoxyaniline
CID 7015503
5-[(4-bromo-3-ethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541026
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-bromo-2-ethoxy-4-(2-ethoxypropoxymethyl)benzene
CID 67395717
tert-butyl 4-bromo-3-ethoxybenzoate
CID 146034938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-methylaniline?
The IUPAC name of 4-bromo-3-ethoxy-N-methylaniline (CID 175242826) is 4-bromo-3-ethoxy-N-methylaniline.
What is the SMILES notation for 4-bromo-3-ethoxy-N-methylaniline?
The canonical SMILES for 4-bromo-3-ethoxy-N-methylaniline is CCOc1cc(NC)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N-methylaniline?
The InChIKey is QGVSQBAPGKYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-3-12-9-6-7(11-2)4-5-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-bromo-3-ethoxy-N-methylaniline?
4-bromo-3-ethoxy-N-methylaniline has a molecular weight of 230.10 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-methylaniline is sourced from PubChem (CID 175242826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).