4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline

C15H23BrN2 — CID 82972503

IUPAC4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23BrN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyPIAHZKOHAWYCLU-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.96
Rot. Bonds5

About 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline

4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 82972503) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
PubChem CID82972503
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23BrN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyPIAHZKOHAWYCLU-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569234
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 82968195
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
CID 43569351
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
CID 82967869
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569240
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline (CID 82972503) is 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline is CNC(C)c1cc(Br)ccc1N(C)C(C)C1CC1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is PIAHZKOHAWYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3.
What are the key properties of 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 311.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 82972503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).