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

C14H21BrN2 — CID 115557204

IUPAC2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCCC1
InChIInChI=1S/C14H21BrN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)14(16)8-12/h6-8,11H,2-5,9-10,16H2,1H3
InChIKeyMRONRBAGMHMWJH-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.65
Rot. Bonds4

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

2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline (PubChem CID 115557204) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
PubChem CID115557204
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCCC1
InChIInChI=1S/C14H21BrN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)14(16)8-12/h6-8,11H,2-5,9-10,16H2,1H3
InChIKeyMRONRBAGMHMWJH-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.65
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-methylaniline
CID 6422065
2-Bromo-N,N,5-trimethylaniline
CID 3355354
5-Bromo-2-[(dimethylamino)methyl]aniline
CID 79712483
2-Bromo-5-ethylaniline hydrochloride
CID 126796901
2-bromo-N-ethyl-5-(trifluoromethyl)aniline
CID 108126325
3-Amino-4-bromostyrene
CID 12241451
2-Bromo-N,5-dimethylaniline
CID 50998703
2-bromo-N-ethyl-5-methylaniline
CID 71055565
2-Bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110
2-bromo-N,N-diethyl-5-(trifluoromethyl)aniline
CID 108130298
2-bromo-N-ethyl-4-fluoro-5-methylaniline
CID 117670050
1-(2-Bromo-5-methylphenyl)-3-fluoropiperidine
CID 177769216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline (CID 115557204) is 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(Br)c(N)c1)CC1CCCC1.
What is the InChIKey of 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The InChIKey is MRONRBAGMHMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)14(16)8-12/h6-8,11H,2-5,9-10,16H2,1H3.
What are the key properties of 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline has a molecular weight of 297.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 115557204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).