3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H23BrN2 — CID 107582137

IUPAC3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(Br)cc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H23BrN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3
InChIKeyQNFXJJGBEHBASP-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.09
Rot. Bonds3

About 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 107582137) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID107582137
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(Br)cc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H23BrN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3
InChIKeyQNFXJJGBEHBASP-UHFFFAOYSA-N
XLogP4.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 107582137) is 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Cc1cc(Br)cc(NC2CCCC2C2CCCN2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is QNFXJJGBEHBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3.
What are the key properties of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 323.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 107582137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).