2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine

C12H15BrClNO — CID 117490026

IUPAC2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1c(Cl)cc(C2CCCN2)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-16-7-9-10(13)5-8(6-11(9)14)12-3-2-4-15-12/h5-6,12,15H,2-4,7H2,1H3
InChIKeyBODNXHGJZUMHDV-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.67
Rot. Bonds3

About 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine

2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine (PubChem CID 117490026) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine
PubChem CID117490026
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1c(Cl)cc(C2CCCN2)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-16-7-9-10(13)5-8(6-11(9)14)12-3-2-4-15-12/h5-6,12,15H,2-4,7H2,1H3
InChIKeyBODNXHGJZUMHDV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine (CID 117490026) is 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine is COCc1c(Cl)cc(C2CCCN2)cc1Br.
What is the InChIKey of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine?
The InChIKey is BODNXHGJZUMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-16-7-9-10(13)5-8(6-11(9)14)12-3-2-4-15-12/h5-6,12,15H,2-4,7H2,1H3.
What are the key properties of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine?
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine has a molecular weight of 304.62 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117490026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).