4-bromo-N-ethyl-2-methylaniline

C9H12BrN — CID 23053407

IUPAC4-bromo-N-ethyl-2-methylaniline
SMILESCCNc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrN/c1-3-11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyKRIQRELQURYEPJ-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-N-ethyl-2-methylaniline

4-bromo-N-ethyl-2-methylaniline (PubChem CID 23053407) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-methylaniline
PubChem CID23053407
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name4-bromo-N-ethyl-2-methylaniline
SMILESCCNc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrN/c1-3-11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyKRIQRELQURYEPJ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
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4-bromo-N-(3-fluoropropyl)-2-methylaniline
CID 81105381
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4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
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4-bromo-N-(3,3-diethoxypropyl)-2-methylaniline
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1-(4-bromo-2-methylphenyl)-3-ethylthiourea
CID 8682351
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-methylaniline?
The IUPAC name of 4-bromo-N-ethyl-2-methylaniline (CID 23053407) is 4-bromo-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-bromo-N-ethyl-2-methylaniline?
The canonical SMILES for 4-bromo-N-ethyl-2-methylaniline is CCNc1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-N-ethyl-2-methylaniline?
The InChIKey is KRIQRELQURYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-3-11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-2-methylaniline?
4-bromo-N-ethyl-2-methylaniline has a molecular weight of 214.11 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-methylaniline is sourced from PubChem (CID 23053407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).