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

C15H20BrClN2 — CID 107619264

IUPAC4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1cc(NC2CCCC2C2CCCN2)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-12-7-6-10(9-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2
InChIKeyVVCPSPPGEICVER-UHFFFAOYSA-N
MW343.70 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 107619264) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID107619264
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1cc(NC2CCCC2C2CCCN2)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-12-7-6-10(9-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2
InChIKeyVVCPSPPGEICVER-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

3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79537026
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536377
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 107619264) is 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Clc1cc(NC2CCCC2C2CCCN2)ccc1Br.
What is the InChIKey of 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is VVCPSPPGEICVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-12-7-6-10(9-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2.
What are the key properties of 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
4-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 4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 107619264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).