2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride

C18H29ClN2O — CID 120903631

IUPAC2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCOc1cccc(C2CC(C)CN2CC2(C)CCNC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-9-17(15-5-4-6-16(10-15)21-3)20(11-14)13-18(2)7-8-19-12-18;/h4-6,10,14,17,19H,7-9,11-13H2,1-3H3;1H
InChIKeyHQPVEYKNHPATMN-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride

2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (PubChem CID 120903631) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
PubChem CID120903631
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCOc1cccc(C2CC(C)CN2CC2(C)CCNC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-9-17(15-5-4-6-16(10-15)21-3)20(11-14)13-18(2)7-8-19-12-18;/h4-6,10,14,17,19H,7-9,11-13H2,1-3H3;1H
InChIKeyHQPVEYKNHPATMN-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120848891
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897429
1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
CID 124733917
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 91799142
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (CID 120903631) is 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is COc1cccc(C2CC(C)CN2CC2(C)CCNC2)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The InChIKey is HQPVEYKNHPATMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14-9-17(15-5-4-6-16(10-15)21-3)20(11-14)13-18(2)7-8-19-12-18;/h4-6,10,14,17,19H,7-9,11-13H2,1-3H3;1H.
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 120903631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).