4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline

C13H19BrN2 — CID 117455098

IUPAC4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
SMILESCC(N)C1(c2ccc(N(C)C)c(Br)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-9(15)13(6-7-13)10-4-5-12(16(2)3)11(14)8-10/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyQKZUCDPZLGRERN-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.89
Rot. Bonds3

About 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline

4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline (PubChem CID 117455098) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
PubChem CID117455098
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
SMILESCC(N)C1(c2ccc(N(C)C)c(Br)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-9(15)13(6-7-13)10-4-5-12(16(2)3)11(14)8-10/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyQKZUCDPZLGRERN-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline?
The IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline (CID 117455098) is 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline is CC(N)C1(c2ccc(N(C)C)c(Br)c2)CC1.
What is the InChIKey of 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline?
The InChIKey is QKZUCDPZLGRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9(15)13(6-7-13)10-4-5-12(16(2)3)11(14)8-10/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline?
4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline has a molecular weight of 283.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline is sourced from PubChem (CID 117455098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).