2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C15H20BrClN2 — CID 103478265

IUPAC2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1cccc(NC2CCCC2C2CCCN2)c1Br
InChIInChI=1S/C15H20BrClN2/c16-15-11(17)5-2-7-14(15)19-13-6-1-4-10(13)12-8-3-9-18-12/h2,5,7,10,12-13,18-19H,1,3-4,6,8-9H2
InChIKeyMGWPWDYDOWKUNN-UHFFFAOYSA-N
MW343.70 g/mol
LogP4.44
Rot. Bonds3

About 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 103478265) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID103478265
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1cccc(NC2CCCC2C2CCCN2)c1Br
InChIInChI=1S/C15H20BrClN2/c16-15-11(17)5-2-7-14(15)19-13-6-1-4-10(13)12-8-3-9-18-12/h2,5,7,10,12-13,18-19H,1,3-4,6,8-9H2
InChIKeyMGWPWDYDOWKUNN-UHFFFAOYSA-N
XLogP4.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
N-(2-pyrrolidin-2-ylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79535830
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546515
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
CID 79544346
2-propyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543974
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 103478265) is 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Clc1cccc(NC2CCCC2C2CCCN2)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is MGWPWDYDOWKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-15-11(17)5-2-7-14(15)19-13-6-1-4-10(13)12-8-3-9-18-12/h2,5,7,10,12-13,18-19H,1,3-4,6,8-9H2.
What are the key properties of 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 343.70 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 103478265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).