2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine

C16H24ClNO — CID 117452830

IUPAC2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1C1(C)CCCN1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)12-9-11(17)10-13(14(12)19-5)16(4)7-6-8-18-16/h9-10,18H,6-8H2,1-5H3
InChIKeyCEBCMQBYCMKXID-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.24
Rot. Bonds2

About 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine

2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117452830) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117452830
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1C1(C)CCCN1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)12-9-11(17)10-13(14(12)19-5)16(4)7-6-8-18-16/h9-10,18H,6-8H2,1-5H3
InChIKeyCEBCMQBYCMKXID-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
CID 117456233
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117352130
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
CID 117495064

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine (CID 117452830) is 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine is COc1c(C(C)(C)C)cc(Cl)cc1C1(C)CCCN1.
What is the InChIKey of 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is CEBCMQBYCMKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2,3)12-9-11(17)10-13(14(12)19-5)16(4)7-6-8-18-16/h9-10,18H,6-8H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine?
2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 281.83 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117452830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).