3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine

C14H18BrNO — CID 117477272

IUPAC3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
SMILESCc1cc(Br)c(OC2CC2)c(C2CCNC2)c1
InChIInChI=1S/C14H18BrNO/c1-9-6-12(10-4-5-16-8-10)14(13(15)7-9)17-11-2-3-11/h6-7,10-11,16H,2-5,8H2,1H3
InChIKeyVMMXLWPCLWKSTN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.38
Rot. Bonds3

About 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine

3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine (PubChem CID 117477272) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
PubChem CID117477272
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
SMILESCc1cc(Br)c(OC2CC2)c(C2CCNC2)c1
InChIInChI=1S/C14H18BrNO/c1-9-6-12(10-4-5-16-8-10)14(13(15)7-9)17-11-2-3-11/h6-7,10-11,16H,2-5,8H2,1H3
InChIKeyVMMXLWPCLWKSTN-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
CID 117455029
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine?
The IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine (CID 117477272) is 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine is Cc1cc(Br)c(OC2CC2)c(C2CCNC2)c1.
What is the InChIKey of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine?
The InChIKey is VMMXLWPCLWKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-6-12(10-4-5-16-8-10)14(13(15)7-9)17-11-2-3-11/h6-7,10-11,16H,2-5,8H2,1H3.
What are the key properties of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine?
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine has a molecular weight of 296.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine is sourced from PubChem (CID 117477272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).