(4S)-1-benzyl-2,4-dimethylpyrrolidine

C13H19N — CID 118651465

IUPAC(4S)-1-benzyl-2,4-dimethylpyrrolidine
SMILESCC1C[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-11-8-12(2)14(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyVYYZTSMKEIEVPP-PXYINDEMSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds2

About (4S)-1-benzyl-2,4-dimethylpyrrolidine

(4S)-1-benzyl-2,4-dimethylpyrrolidine (PubChem CID 118651465) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (4S)-1-benzyl-2,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-1-benzyl-2,4-dimethylpyrrolidine
PubChem CID118651465
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(4S)-1-benzyl-2,4-dimethylpyrrolidine
SMILESCC1C[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-11-8-12(2)14(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyVYYZTSMKEIEVPP-PXYINDEMSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-2,5-dimethylpiperidine
CID 73200484
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-2,4-dimethylpyrrolidine?
The IUPAC name of (4S)-1-benzyl-2,4-dimethylpyrrolidine (CID 118651465) is (4S)-1-benzyl-2,4-dimethylpyrrolidine.
What is the SMILES notation for (4S)-1-benzyl-2,4-dimethylpyrrolidine?
The canonical SMILES for (4S)-1-benzyl-2,4-dimethylpyrrolidine is CC1C[C@H](C)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-2,4-dimethylpyrrolidine?
The InChIKey is VYYZTSMKEIEVPP-PXYINDEMSA-N. The full InChI is InChI=1S/C13H19N/c1-11-8-12(2)14(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (4S)-1-benzyl-2,4-dimethylpyrrolidine?
(4S)-1-benzyl-2,4-dimethylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-2,4-dimethylpyrrolidine is sourced from PubChem (CID 118651465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).