3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol

C13H19BrN2O — CID 114879720

IUPAC3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cccc(Br)c1CN
InChIInChI=1S/C13H19BrN2O/c1-16(8-9-5-10(17)6-9)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyJJDCKBUDXZHGQY-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.11
Rot. Bonds4

About 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol

3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol (PubChem CID 114879720) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
PubChem CID114879720
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cccc(Br)c1CN
InChIInChI=1S/C13H19BrN2O/c1-16(8-9-5-10(17)6-9)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyJJDCKBUDXZHGQY-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarbothioamide
CID 114882516
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114879692
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
3-[(3-chloro-N-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 104839073
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 83060904
3-[(4-amino-2-iodo-N-methylanilino)methyl]cyclobutan-1-ol
CID 66094405
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol (CID 114879720) is 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1cccc(Br)c1CN.
What is the InChIKey of 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol?
The InChIKey is JJDCKBUDXZHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(8-9-5-10(17)6-9)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3.
What are the key properties of 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol?
3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 114879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).