4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride

C11H19BrCl2N2 — CID 3043613

IUPAC4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)c(Br)c1.Cl.Cl
InChIInChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-11(14(2)3)10(12)7-9;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyNWZHZXQLJMBQQL-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.25
Rot. Bonds3

About 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride

4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride (PubChem CID 3043613) has the molecular formula C11H19BrCl2N2 and a molecular weight of 330.10 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride
PubChem CID3043613
Molecular FormulaC11H19BrCl2N2
Molecular Weight330.10 g/mol
Exact Mass328.01
IUPAC Name4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)c(Br)c1.Cl.Cl
InChIInChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-11(14(2)3)10(12)7-9;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyNWZHZXQLJMBQQL-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Dimethylaminophenethylamine
CID 151268
[3-Bromo-4-(dimethylamino)phenyl](pyrrolidin-1-yl)methanethione
CID 800492
4-(2-aminopropyl)-N,N-dimethylaniline dihydrochloride
CID 3043611
Phenethylamine, 2-bromo-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 3043617
4-(3-aminopropyl)-N,N-dimethylaniline
CID 15703000
4-(2-aminopropyl)-N,N-dimethylaniline
CID 3043612
Phenethylamine, 4-dimethylamino-2-fluoro-alpha-methyl-, dihydrochloride
CID 3049431
Phenethylamine, 4-ethylamino-alpha-methyl-, dihydrochloride
CID 3043607
4-(aminomethyl)-N,N-dimethylaniline dihydrochloride
CID 2734633
4-Bromo-N,2-diethylaniline
CID 23053415
3-Bromo-4-(methylamino)benzonitrile
CID 59007281
2-bromo-N,N-dimethyl-4-(1-piperidinylcarbonothioyl)aniline
CID 952051

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride (CID 3043613) is 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride is CC(N)Cc1ccc(N(C)C)c(Br)c1.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride?
The InChIKey is NWZHZXQLJMBQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2.2ClH/c1-8(13)6-9-4-5-11(14(2)3)10(12)7-9;;/h4-5,7-8H,6,13H2,1-3H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride?
4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride has a molecular weight of 330.10 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 3043613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).