2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline

C15H24BrN3 — CID 105413396

IUPAC2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCN(CC1(N(C)C)CCC1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H24BrN3/c1-18(2)15(7-4-8-15)11-19(3)14-6-5-13(16)9-12(14)10-17/h5-6,9H,4,7-8,10-11,17H2,1-3H3
InChIKeyHJKKAYBTAKALJZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.83
Rot. Bonds5

About 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline

2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (PubChem CID 105413396) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
PubChem CID105413396
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCN(CC1(N(C)C)CCC1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H24BrN3/c1-18(2)15(7-4-8-15)11-19(3)14-6-5-13(16)9-12(14)10-17/h5-6,9H,4,7-8,10-11,17H2,1-3H3
InChIKeyHJKKAYBTAKALJZ-UHFFFAOYSA-N
XLogP2.83
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
2-(bromomethyl)-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 107085407
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
CID 105415671
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methylbenzenecarbothioamide
CID 107929337

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (CID 105413396) is 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is CN(CC1(N(C)C)CCC1)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The InChIKey is HJKKAYBTAKALJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(2)15(7-4-8-15)11-19(3)14-6-5-13(16)9-12(14)10-17/h5-6,9H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline has a molecular weight of 326.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is sourced from PubChem (CID 105413396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).