5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline

C14H21BrN2 — CID 43281873

IUPAC5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C14H21BrN2/c1-3-8-17(2)14-9-12(15)5-4-11(14)10-16-13-6-7-13/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyQZFJUABTUFBQJP-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline (PubChem CID 43281873) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline.

Molecular Properties

Compound Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
PubChem CID43281873
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C14H21BrN2/c1-3-8-17(2)14-9-12(15)5-4-11(14)10-16-13-6-7-13/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyQZFJUABTUFBQJP-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057223
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline (CID 43281873) is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline.
What is the SMILES notation for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The canonical SMILES for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline is CCCN(C)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The InChIKey is QZFJUABTUFBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-8-17(2)14-9-12(15)5-4-11(14)10-16-13-6-7-13/h4-5,9,13,16H,3,6-8,10H2,1-2H3.
What are the key properties of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline is sourced from PubChem (CID 43281873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).