2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline

C14H23BrN2 — CID 114061936

IUPAC2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(Br)cc1CCN
InChIInChI=1S/C14H23BrN2/c1-4-13(5-2)17(3)14-7-6-12(15)10-11(14)8-9-16/h6-7,10,13H,4-5,8-9,16H2,1-3H3
InChIKeyAFZJTVGBNYFXSP-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.58
Rot. Bonds6

About 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline

2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline (PubChem CID 114061936) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
PubChem CID114061936
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(Br)cc1CCN
InChIInChI=1S/C14H23BrN2/c1-4-13(5-2)17(3)14-7-6-12(15)10-11(14)8-9-16/h6-7,10,13H,4-5,8-9,16H2,1-3H3
InChIKeyAFZJTVGBNYFXSP-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-N-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 43570912
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
5-bromo-2-[methyl(pentan-3-yl)amino]benzenecarbothioamide
CID 114891374
4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
CID 55236964
1-[5-bromo-2-[methyl(pentan-3-yl)amino]phenyl]ethanone
CID 82967354
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
CID 43571422
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline (CID 114061936) is 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline is CCC(CC)N(C)c1ccc(Br)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline?
The InChIKey is AFZJTVGBNYFXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-13(5-2)17(3)14-7-6-12(15)10-11(14)8-9-16/h6-7,10,13H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline?
2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline has a molecular weight of 299.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 114061936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).