5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

C13H19BrN2 — CID 115210168

IUPAC5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCc1ccc(Br)cc1NCCC1CCCN1
InChIInChI=1S/C13H19BrN2/c1-10-4-5-11(14)9-13(10)16-8-6-12-3-2-7-15-12/h4-5,9,12,15-16H,2-3,6-8H2,1H3
InChIKeyVFTKPBXSNGZHAC-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.31
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210168) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210168
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCc1ccc(Br)cc1NCCC1CCCN1
InChIInChI=1S/C13H19BrN2/c1-10-4-5-11(14)9-13(10)16-8-6-12-3-2-7-15-12/h4-5,9,12,15-16H,2-3,6-8H2,1H3
InChIKeyVFTKPBXSNGZHAC-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210512
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
5-chloro-4-methoxy-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210121
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
4-methyl-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104972924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210168) is 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is Cc1ccc(Br)cc1NCCC1CCCN1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is VFTKPBXSNGZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-4-5-11(14)9-13(10)16-8-6-12-3-2-7-15-12/h4-5,9,12,15-16H,2-3,6-8H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 283.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).