2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine

C14H21NO — CID 82158685

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1C(C)C
InChIInChI=1S/C14H21NO/c1-10(2)12-9-11(6-7-14(12)16-3)13-5-4-8-15-13/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyHKZJBWHXPXONOK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine

2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine (PubChem CID 82158685) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
PubChem CID82158685
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1C(C)C
InChIInChI=1S/C14H21NO/c1-10(2)12-9-11(6-7-14(12)16-3)13-5-4-8-15-13/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyHKZJBWHXPXONOK-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
3-(4-methoxy-3-propan-2-ylphenyl)morpholine
CID 82083415
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine (CID 82158685) is 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine is COc1ccc(C2CCCN2)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine?
The InChIKey is HKZJBWHXPXONOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)12-9-11(6-7-14(12)16-3)13-5-4-8-15-13/h6-7,9-10,13,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine?
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 82158685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).