2-bromo-N-ethyl-4-methoxyaniline

C9H12BrNO — CID 130675906

IUPAC2-bromo-N-ethyl-4-methoxyaniline
SMILESCCNc1ccc(OC)cc1Br
InChIInChI=1S/C9H12BrNO/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyZNKYINSNXNGFOO-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.89
Rot. Bonds3

About 2-bromo-N-ethyl-4-methoxyaniline

2-bromo-N-ethyl-4-methoxyaniline (PubChem CID 130675906) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-methoxyaniline
PubChem CID130675906
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-N-ethyl-4-methoxyaniline
SMILESCCNc1ccc(OC)cc1Br
InChIInChI=1S/C9H12BrNO/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyZNKYINSNXNGFOO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
S-methyl 2-(ethylamino)-5-methoxybenzenecarbothioate
CID 66490836
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
CID 144945508
S-methyl 2-(ethylamino)-4-methoxybenzenecarbothioate
CID 14626447
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-methoxyaniline?
The IUPAC name of 2-bromo-N-ethyl-4-methoxyaniline (CID 130675906) is 2-bromo-N-ethyl-4-methoxyaniline.
What is the SMILES notation for 2-bromo-N-ethyl-4-methoxyaniline?
The canonical SMILES for 2-bromo-N-ethyl-4-methoxyaniline is CCNc1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-methoxyaniline?
The InChIKey is ZNKYINSNXNGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-4-methoxyaniline?
2-bromo-N-ethyl-4-methoxyaniline 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 2-bromo-N-ethyl-4-methoxyaniline is sourced from PubChem (CID 130675906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).