5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline

C18H23BrN2 — CID 63551348

IUPAC5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Br)cc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23BrN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3
InChIKeyJCXIAOKJORFSOL-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.50
Rot. Bonds6

About 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline

5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 63551348) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID63551348
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Br)cc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23BrN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3
InChIKeyJCXIAOKJORFSOL-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
CID 43375159
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline (CID 63551348) is 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline is CCNCc1ccc(Br)cc1N(C)Cc1ccccc1C.
What is the InChIKey of 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is JCXIAOKJORFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 347.30 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 63551348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).