4-bromo-3-[2-(dimethylamino)ethyl]aniline

C10H15BrN2 — CID 70451093

IUPAC4-bromo-3-[2-(dimethylamino)ethyl]aniline
SMILESCN(C)CCc1cc(N)ccc1Br
InChIInChI=1S/C10H15BrN2/c1-13(2)6-5-8-7-9(12)3-4-10(8)11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyGQPBHPDZRZWODV-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.14
Rot. Bonds3

About 4-bromo-3-[2-(dimethylamino)ethyl]aniline

4-bromo-3-[2-(dimethylamino)ethyl]aniline (PubChem CID 70451093) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-bromo-3-[2-(dimethylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-3-[2-(dimethylamino)ethyl]aniline
PubChem CID70451093
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-bromo-3-[2-(dimethylamino)ethyl]aniline
SMILESCN(C)CCc1cc(N)ccc1Br
InChIInChI=1S/C10H15BrN2/c1-13(2)6-5-8-7-9(12)3-4-10(8)11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyGQPBHPDZRZWODV-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(3-chloropropyl)aniline
CID 118834574
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
4-bromo-3-[(N,3,5-trimethylanilino)methyl]aniline
CID 115297680
4-bromo-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 115297546
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]aniline
CID 113281322
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
2-bromo-1-N-[3-(dimethylamino)propyl]-1-N-methylbenzene-1,4-diamine
CID 63693227
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
4-bromo-3-[[butan-2-yl(butyl)amino]methyl]aniline
CID 113281319
3-bromo-4-[3-(dimethylamino)propylsulfanyl]aniline
CID 114525561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-(dimethylamino)ethyl]aniline?
The IUPAC name of 4-bromo-3-[2-(dimethylamino)ethyl]aniline (CID 70451093) is 4-bromo-3-[2-(dimethylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-3-[2-(dimethylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-3-[2-(dimethylamino)ethyl]aniline is CN(C)CCc1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-[2-(dimethylamino)ethyl]aniline?
The InChIKey is GQPBHPDZRZWODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(2)6-5-8-7-9(12)3-4-10(8)11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-bromo-3-[2-(dimethylamino)ethyl]aniline?
4-bromo-3-[2-(dimethylamino)ethyl]aniline has a molecular weight of 243.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-(dimethylamino)ethyl]aniline is sourced from PubChem (CID 70451093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).