2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline

C15H25BrN2 — CID 82968747

IUPAC2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-9-13(16)7-8-14(15)12(4)17/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyQGEQTKDWHOCTTO-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.34
Rot. Bonds6

About 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline

2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline (PubChem CID 82968747) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
PubChem CID82968747
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-9-13(16)7-8-14(15)12(4)17/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyQGEQTKDWHOCTTO-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-ethyl-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477416
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79477246
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
2-bromo-1-N-ethyl-5-methyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 114048289

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline (CID 82968747) is 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1cc(Br)ccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The InChIKey is QGEQTKDWHOCTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-9-13(16)7-8-14(15)12(4)17/h7-9,11-12H,5-6,10,17H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline?
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline has a molecular weight of 313.28 g/mol, XLogP of 4.34, 6 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-ethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 82968747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).