4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline

C15H25BrN2 — CID 79477246

IUPAC4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m0/s1
InChIKeyNDFFBOQHELRABB-KIYNQFGBSA-N
MW313.28 g/mol
LogP4.34
Rot. Bonds6

About 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline

4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline (PubChem CID 79477246) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
PubChem CID79477246
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m0/s1
InChIKeyNDFFBOQHELRABB-KIYNQFGBSA-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-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
4-[(1S)-1-aminoethyl]-2-bromo-N,N-diethylaniline
CID 63368146
4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
CID 62909492
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 62911180
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994147
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 82968747
1-[3-bromo-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63541259
2-N-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189362

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline (CID 79477246) is 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccc([C@H](C)N)cc1Br.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline?
The InChIKey is NDFFBOQHELRABB-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline?
4-[(1S)-1-aminoethyl]-2-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 4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79477246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).