2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline

C14H23BrN2 — CID 82968527

IUPAC2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H23BrN2/c1-6-14(3,4)17(5)13-8-7-11(15)9-12(13)10(2)16/h7-10H,6,16H2,1-5H3
InChIKeyRCAKHBLZGYJRAZ-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.09
Rot. Bonds4

About 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline

2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 82968527) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID82968527
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H23BrN2/c1-6-14(3,4)17(5)13-8-7-11(15)9-12(13)10(2)16/h7-10H,6,16H2,1-5H3
InChIKeyRCAKHBLZGYJRAZ-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 82968527) is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(Br)cc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is RCAKHBLZGYJRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-6-14(3,4)17(5)13-8-7-11(15)9-12(13)10(2)16/h7-10H,6,16H2,1-5H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 299.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 82968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).