1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine

C15H23N — CID 59470641

IUPAC1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
SMILESCC(C)(C)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C15H23N/c1-15(2,3)14(16-11-7-8-12-16)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyLKDLCIYRUWICSL-CQSZACIVSA-N
MW217.36 g/mol
LogP3.87
Rot. Bonds2

About 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine

1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine (PubChem CID 59470641) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
PubChem CID59470641
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
SMILESCC(C)(C)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C15H23N/c1-15(2,3)14(16-11-7-8-12-16)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyLKDLCIYRUWICSL-CQSZACIVSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one
CID 54364623
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
(1R)-3,3-dimethyl-1-phenyl-1-pyrrolidin-1-ylbutan-2-one
CID 59470882
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutane-1-thiol
CID 23249782
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine
CID 87582711
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(2S)-2-phenyl-1-pyrrolidin-1-ylpropan-1-amine
CID 67673166
1-cyclohexyl-1,2-diphenyl-2-piperidin-1-ylethanol;hydrochloride
CID 11972073

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine?
The IUPAC name of 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine (CID 59470641) is 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine.
What is the SMILES notation for 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine?
The canonical SMILES for 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine is CC(C)(C)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine?
The InChIKey is LKDLCIYRUWICSL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)14(16-11-7-8-12-16)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine?
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine is sourced from PubChem (CID 59470641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).