2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline

C15H23BrN2 — CID 63784972

IUPAC2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1cc(Br)ccc1CC(C)N)C1CC1
InChIInChI=1S/C15H23BrN2/c1-3-8-18(14-6-7-14)15-10-13(16)5-4-12(15)9-11(2)17/h4-5,10-11,14H,3,6-9,17H2,1-2H3
InChIKeyXTWSLTLCZJEXGS-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds6

About 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline

2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline (PubChem CID 63784972) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
PubChem CID63784972
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1cc(Br)ccc1CC(C)N)C1CC1
InChIInChI=1S/C15H23BrN2/c1-3-8-18(14-6-7-14)15-10-13(16)5-4-12(15)9-11(2)17/h4-5,10-11,14H,3,6-9,17H2,1-2H3
InChIKeyXTWSLTLCZJEXGS-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline (CID 63784972) is 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline is CCCN(c1cc(Br)ccc1CC(C)N)C1CC1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline?
The InChIKey is XTWSLTLCZJEXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-8-18(14-6-7-14)15-10-13(16)5-4-12(15)9-11(2)17/h4-5,10-11,14H,3,6-9,17H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline?
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline has a molecular weight of 311.27 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline is sourced from PubChem (CID 63784972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).