3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine

C14H21NO — CID 167341236

IUPAC3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
SMILESCOC1CCN(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H21NO/c1-11(2)12-5-4-6-13(9-12)15-8-7-14(10-15)16-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyVZLQZNYBQVJSLD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds3

About 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine

3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine (PubChem CID 167341236) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
PubChem CID167341236
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
SMILESCOC1CCN(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H21NO/c1-11(2)12-5-4-6-13(9-12)15-8-7-14(10-15)16-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyVZLQZNYBQVJSLD-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
CID 118968940
(E)-[tert-butyl(methyl)amino]-oxido-[(3R)-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]oxyiminoazanium
CID 57330305
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
lithium 3-(3-methoxypyrrolidin-1-yl)benzenesulfinate
CID 68542056
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
1-[2-bromo-4-(3-methoxypyrrolidin-1-yl)phenyl]ethanol
CID 114069873
3-methoxy-1-phenylpiperidine
CID 70382121
(4R)-4-[4-[1-[3-(difluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158548981
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
2-ethyl-4-(3-propan-2-ylphenyl)morpholine
CID 20744240

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine (CID 167341236) is 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine is COC1CCN(c2cccc(C(C)C)c2)C1.
What is the InChIKey of 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine?
The InChIKey is VZLQZNYBQVJSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)12-5-4-6-13(9-12)15-8-7-14(10-15)16-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine?
3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 167341236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).