2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline

C16H19BrN2 — CID 82968647

IUPAC2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C16H19BrN2/c1-11-6-4-5-7-15(11)19(3)16-10-13(17)8-9-14(16)12(2)18/h4-10,12H,18H2,1-3H3
InChIKeyFJMDZIKUHYWYSQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.55
Rot. Bonds3

About 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline

2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline (PubChem CID 82968647) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
PubChem CID82968647
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C16H19BrN2/c1-11-6-4-5-7-15(11)19(3)16-10-13(17)8-9-14(16)12(2)18/h4-10,12H,18H2,1-3H3
InChIKeyFJMDZIKUHYWYSQ-UHFFFAOYSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
CID 82976080
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
N-(3-bromophenyl)-N,2-dimethylaniline
CID 146003911
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 82969724
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline (CID 82968647) is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1cc(Br)ccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline?
The InChIKey is FJMDZIKUHYWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-6-4-5-7-15(11)19(3)16-10-13(17)8-9-14(16)12(2)18/h4-10,12H,18H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline?
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline has a molecular weight of 319.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 82968647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).