2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline

C13H19BrN2 — CID 114879451

IUPAC2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Br)c1CN)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-16(10-5-2-3-6-10)13-8-4-7-12(14)11(13)9-15/h4,7-8,10H,2-3,5-6,9,15H2,1H3
InChIKeyVNZOMKNEPCITIA-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.29
Rot. Bonds3

About 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline

2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline (PubChem CID 114879451) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
PubChem CID114879451
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Br)c1CN)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-16(10-5-2-3-6-10)13-8-4-7-12(14)11(13)9-15/h4,7-8,10H,2-3,5-6,9,15H2,1H3
InChIKeyVNZOMKNEPCITIA-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(chloromethyl)-N-cyclobutyl-N-methylaniline
CID 131186381
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
2-bromo-6-[cyclopentyl(methyl)amino]benzenecarbothioamide
CID 114881958
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
CID 114879720
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
CID 63077474
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
CID 174746567
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline (CID 114879451) is 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline is CN(c1cccc(Br)c1CN)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline?
The InChIKey is VNZOMKNEPCITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(10-5-2-3-6-10)13-8-4-7-12(14)11(13)9-15/h4,7-8,10H,2-3,5-6,9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline?
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline has a molecular weight of 283.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 114879451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).