1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine

C16H24N2 — CID 141288740

IUPAC1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine
SMILESCc1cccc(N2CCC(N3CCCC3C)C2)c1
InChIInChI=1S/C16H24N2/c1-13-5-3-7-15(11-13)17-10-8-16(12-17)18-9-4-6-14(18)2/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3
InChIKeyYEWLQPYYQGZXBH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine

1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine (PubChem CID 141288740) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine
PubChem CID141288740
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine
SMILESCc1cccc(N2CCC(N3CCCC3C)C2)c1
InChIInChI=1S/C16H24N2/c1-13-5-3-7-15(11-13)17-10-8-16(12-17)18-9-4-6-14(18)2/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3
InChIKeyYEWLQPYYQGZXBH-UHFFFAOYSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]aniline
CID 59401888
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamic acid
CID 67403733
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide
CID 67137204
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-2-(6-pyrrolidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 54670097
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopentanecarboxamide
CID 25264794
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
CID 72547214
1-[1-(3-methylphenyl)piperidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005823
2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 54597066
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine?
The IUPAC name of 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine (CID 141288740) is 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine is Cc1cccc(N2CCC(N3CCCC3C)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine?
The InChIKey is YEWLQPYYQGZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-5-3-7-15(11-13)17-10-8-16(12-17)18-9-4-6-14(18)2/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine?
1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine is sourced from PubChem (CID 141288740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).