2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine

C14H20ClNO — CID 117387937

IUPAC2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1c(C(C)C)cc(Cl)cc1C1CCCN1
InChIInChI=1S/C14H20ClNO/c1-9(2)11-7-10(15)8-12(14(11)17-3)13-5-4-6-16-13/h7-9,13,16H,4-6H2,1-3H3
InChIKeyBFSPBMSEXHTWMR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.90
Rot. Bonds3

About 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine

2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine (PubChem CID 117387937) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
PubChem CID117387937
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1c(C(C)C)cc(Cl)cc1C1CCCN1
InChIInChI=1S/C14H20ClNO/c1-9(2)11-7-10(15)8-12(14(11)17-3)13-5-4-6-16-13/h7-9,13,16H,4-6H2,1-3H3
InChIKeyBFSPBMSEXHTWMR-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497494
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
CID 82552813
2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine (CID 117387937) is 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine is COc1c(C(C)C)cc(Cl)cc1C1CCCN1.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The InChIKey is BFSPBMSEXHTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(2)11-7-10(15)8-12(14(11)17-3)13-5-4-6-16-13/h7-9,13,16H,4-6H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine?
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 117387937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).