2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline

C13H19BrN2 — CID 115557165

IUPAC2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCC1
InChIInChI=1S/C13H19BrN2/c1-16(8-10-3-2-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyYTOOIPRDRYOPKF-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.26
Rot. Bonds4

About 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline

2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline (PubChem CID 115557165) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
PubChem CID115557165
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCC1
InChIInChI=1S/C13H19BrN2/c1-16(8-10-3-2-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyYTOOIPRDRYOPKF-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 113335088
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916
2-bromo-5-[[(4-fluorophenyl)methyl-methylamino]methyl]aniline
CID 115557025
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
CID 115557065
2-bromo-5-[[1-cyclopropylethyl(methyl)amino]methyl]aniline
CID 115557018
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 62861548
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
1-cyclobutyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylmethanamine
CID 62862233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline (CID 115557165) is 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(Br)c(N)c1)CC1CCC1.
What is the InChIKey of 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline?
The InChIKey is YTOOIPRDRYOPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(8-10-3-2-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline?
2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline has a molecular weight of 283.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 115557165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).