4-bromo-2-ethyl-N,N-dimethylaniline

C10H14BrN — CID 21082647

IUPAC4-bromo-2-ethyl-N,N-dimethylaniline
SMILESCCc1cc(Br)ccc1N(C)C
InChIInChI=1S/C10H14BrN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h5-7H,4H2,1-3H3
InChIKeyNCQPIWYJHCZJPB-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.08
Rot. Bonds2

About 4-bromo-2-ethyl-N,N-dimethylaniline

4-bromo-2-ethyl-N,N-dimethylaniline (PubChem CID 21082647) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N,N-dimethylaniline
PubChem CID21082647
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-2-ethyl-N,N-dimethylaniline
SMILESCCc1cc(Br)ccc1N(C)C
InChIInChI=1S/C10H14BrN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h5-7H,4H2,1-3H3
InChIKeyNCQPIWYJHCZJPB-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22641025
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CID 173377979
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CID 81287998
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CID 80979820
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
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CID 114525227
N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide
CID 155460722
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
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CID 114889459
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CID 6469152
6-bromo-3-ethyl-1-methylindole
CID 115042453

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N,N-dimethylaniline?
The IUPAC name of 4-bromo-2-ethyl-N,N-dimethylaniline (CID 21082647) is 4-bromo-2-ethyl-N,N-dimethylaniline.
What is the SMILES notation for 4-bromo-2-ethyl-N,N-dimethylaniline?
The canonical SMILES for 4-bromo-2-ethyl-N,N-dimethylaniline is CCc1cc(Br)ccc1N(C)C.
What is the InChIKey of 4-bromo-2-ethyl-N,N-dimethylaniline?
The InChIKey is NCQPIWYJHCZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-N,N-dimethylaniline?
4-bromo-2-ethyl-N,N-dimethylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N,N-dimethylaniline is sourced from PubChem (CID 21082647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).