1-[(2-methoxyphenyl)methyl]pyrrolidine

C12H17NO — CID 782385

IUPAC1-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccccc1CN1CCCC1
InChIInChI=1S/C12H17NO/c1-14-12-7-3-2-6-11(12)10-13-8-4-5-9-13/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyISUHSQYAFAENJM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]pyrrolidine

1-[(2-methoxyphenyl)methyl]pyrrolidine (PubChem CID 782385) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]pyrrolidine
PubChem CID782385
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccccc1CN1CCCC1
InChIInChI=1S/C12H17NO/c1-14-12-7-3-2-6-11(12)10-13-8-4-5-9-13/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyISUHSQYAFAENJM-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxybenzylamine
CID 123465
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
1-(4-Methoxybenzyl)azepane
CID 763595
2-Methoxybenzylamine
CID 81292
2-Methoxy-N-methylbenzylamine
CID 522302
5-HT/NA Reuptake inhibitor-1
CID 826600
1-[2-(4-Methoxyphenyl)ethyl]pyrrolidine
CID 17805318
3-(2-Pyrrolidin-1-ylethyl)anisole
CID 18365007
2-(4-Methoxyphenyl)-1-methylpyrrolidine
CID 44386904
Morpholine, 4-((2-methoxyphenyl)methyl)-
CID 207116
2-(2-Methoxyphenyl)-1,3-thiazolidine
CID 218556
Benzenemethanamine, 2-methoxy-N,N-dimethyl-
CID 547328

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrolidine (CID 782385) is 1-[(2-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]pyrrolidine is COc1ccccc1CN1CCCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is ISUHSQYAFAENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12-7-3-2-6-11(12)10-13-8-4-5-9-13/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]pyrrolidine?
1-[(2-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).