(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine

C14H21NO — CID 150264737

IUPAC(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
SMILESCOc1ccc(CC[C@H]2CCN(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-15-10-9-13(11-15)4-3-12-5-7-14(16-2)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyGCHNMUVSZBSJAV-ZDUSSCGKSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds4

About (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine

(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine (PubChem CID 150264737) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
PubChem CID150264737
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
SMILESCOc1ccc(CC[C@H]2CCN(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-15-10-9-13(11-15)4-3-12-5-7-14(16-2)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyGCHNMUVSZBSJAV-ZDUSSCGKSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
(3R,4R)-4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonyl-1,1-dioxothiolan-3-ol
CID 51596205
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]but-2-yn-1-one
CID 25280814
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine?
The IUPAC name of (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine (CID 150264737) is (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine is COc1ccc(CC[C@H]2CCN(C)C2)cc1.
What is the InChIKey of (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine?
The InChIKey is GCHNMUVSZBSJAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-10-9-13(11-15)4-3-12-5-7-14(16-2)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine?
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 150264737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).