2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline

C12H19BrN2 — CID 63786948

IUPAC2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
SMILESCCN(C)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C12H19BrN2/c1-4-15(3)12-8-11(13)6-5-10(12)7-9(2)14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyZFYOWJRNMHVFDD-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.79
Rot. Bonds4

About 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline

2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline (PubChem CID 63786948) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
PubChem CID63786948
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
SMILESCCN(C)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C12H19BrN2/c1-4-15(3)12-8-11(13)6-5-10(12)7-9(2)14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyZFYOWJRNMHVFDD-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
CID 63816184
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63815965
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 114061965

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline (CID 63786948) is 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline is CCN(C)c1cc(Br)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline?
The InChIKey is ZFYOWJRNMHVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-15(3)12-8-11(13)6-5-10(12)7-9(2)14/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline?
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline has a molecular weight of 271.20 g/mol, XLogP of 2.79, 4 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-ethyl-N-methylaniline is sourced from PubChem (CID 63786948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).