(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine

C14H21NO2 — CID 143189445

IUPAC(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(OC[C@@H]2CCCN2C)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-13(6-7-14(11)16-3)17-10-12-5-4-8-15(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyAZLWXXJXBTXBKV-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds4

About (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine

(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine (PubChem CID 143189445) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
PubChem CID143189445
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(OC[C@@H]2CCCN2C)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-13(6-7-14(11)16-3)17-10-12-5-4-8-15(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyAZLWXXJXBTXBKV-LBPRGKRZSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine (CID 143189445) is (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine is COc1ccc(OC[C@@H]2CCCN2C)cc1C.
What is the InChIKey of (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is AZLWXXJXBTXBKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-13(6-7-14(11)16-3)17-10-12-5-4-8-15(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine?
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 143189445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).