2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline

C16H27BrN2 — CID 55235251

IUPAC2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1cc(Br)ccc1CC(N)CC
InChIInChI=1S/C16H27BrN2/c1-5-12(3)11-19(4)16-10-14(17)8-7-13(16)9-15(18)6-2/h7-8,10,12,15H,5-6,9,11,18H2,1-4H3
InChIKeyDKSNSPQLVWCROK-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.21
Rot. Bonds7

About 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline

2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 55235251) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
PubChem CID55235251
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1cc(Br)ccc1CC(N)CC
InChIInChI=1S/C16H27BrN2/c1-5-12(3)11-19(4)16-10-14(17)8-7-13(16)9-15(18)6-2/h7-8,10,12,15H,5-6,9,11,18H2,1-4H3
InChIKeyDKSNSPQLVWCROK-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
2-(2-aminobutyl)-5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63795766
2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 114061749

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline (CID 55235251) is 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1cc(Br)ccc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is DKSNSPQLVWCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-12(3)11-19(4)16-10-14(17)8-7-13(16)9-15(18)6-2/h7-8,10,12,15H,5-6,9,11,18H2,1-4H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline?
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 327.31 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 55235251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).