2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine

C13H19N — CID 141078428

IUPAC2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
SMILESCC1CCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyMCTBRMYFHUHHBJ-KIYNQFGBSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine (PubChem CID 141078428) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
PubChem CID141078428
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
SMILESCC1CCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyMCTBRMYFHUHHBJ-KIYNQFGBSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
CID 59890825
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
CID 100994968
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
CID 54882608
1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 20769426
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine (CID 141078428) is 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine is CC1CCCN1[C@@H](C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The InChIKey is MCTBRMYFHUHHBJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine?
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 141078428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).