3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H22BrClN2O — CID 79536377

IUPAC3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCOc1c(Br)cc(Cl)cc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H22BrClN2O/c1-21-16-12(17)8-10(18)9-15(16)20-14-5-2-4-11(14)13-6-3-7-19-13/h8-9,11,13-14,19-20H,2-7H2,1H3
InChIKeyOVXNGXLQBQYMQB-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.44
Rot. Bonds4

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

3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79536377) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79536377
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCOc1c(Br)cc(Cl)cc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H22BrClN2O/c1-21-16-12(17)8-10(18)9-15(16)20-14-5-2-4-11(14)13-6-3-7-19-13/h8-9,11,13-14,19-20H,2-7H2,1H3
InChIKeyOVXNGXLQBQYMQB-UHFFFAOYSA-N
XLogP4.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539259
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871703
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79536377) is 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is COc1c(Br)cc(Cl)cc1NC1CCCC1C1CCCN1.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is OVXNGXLQBQYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-21-16-12(17)8-10(18)9-15(16)20-14-5-2-4-11(14)13-6-3-7-19-13/h8-9,11,13-14,19-20H,2-7H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 373.72 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79536377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).