4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline

C11H17BrN2 — CID 3043618

IUPAC4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline
SMILESCC(N)Cc1ccc(N(C)C)cc1Br
InChIInChI=1S/C11H17BrN2/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12/h4-5,7-8H,6,13H2,1-3H3
InChIKeyHARGFOZNYKJJBV-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline

4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline (PubChem CID 3043618) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline
PubChem CID3043618
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline
SMILESCC(N)Cc1ccc(N(C)C)cc1Br
InChIInChI=1S/C11H17BrN2/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12/h4-5,7-8H,6,13H2,1-3H3
InChIKeyHARGFOZNYKJJBV-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline (CID 3043618) is 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline is CC(N)Cc1ccc(N(C)C)cc1Br.
What is the InChIKey of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline?
The InChIKey is HARGFOZNYKJJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline?
4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline has a molecular weight of 257.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-bromo-N,N-dimethylaniline is sourced from PubChem (CID 3043618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).