2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline

C10H15BrN2 — CID 117110973

IUPAC2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
SMILESCC(N)c1c(Br)cccc1N(C)C
InChIInChI=1S/C10H15BrN2/c1-7(12)10-8(11)5-4-6-9(10)13(2)3/h4-7H,12H2,1-3H3
InChIKeyNUAYYXIVNIOEAZ-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.53
Rot. Bonds2

About 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline

2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline (PubChem CID 117110973) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
PubChem CID117110973
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
SMILESCC(N)c1c(Br)cccc1N(C)C
InChIInChI=1S/C10H15BrN2/c1-7(12)10-8(11)5-4-6-9(10)13(2)3/h4-7H,12H2,1-3H3
InChIKeyNUAYYXIVNIOEAZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
CID 117115338
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
1-(2,6-dibromophenyl)propane-1,2-diamine
CID 20546210
3-bromo-N,N,2-trimethylaniline
CID 107640986
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
CID 67343265
CID 67343265
1-(2,6-dibromophenyl)ethanol
CID 117104086
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline?
The IUPAC name of 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline (CID 117110973) is 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline?
The canonical SMILES for 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline is CC(N)c1c(Br)cccc1N(C)C.
What is the InChIKey of 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline?
The InChIKey is NUAYYXIVNIOEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7(12)10-8(11)5-4-6-9(10)13(2)3/h4-7H,12H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline?
2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline has a molecular weight of 243.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline is sourced from PubChem (CID 117110973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).