1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine

C14H21N — CID 118284741

IUPAC1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11(2)12-4-6-13(7-5-12)14-8-9-15(3)10-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyPVBPLJUOEIHFSB-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds2

About 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine

1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine (PubChem CID 118284741) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
PubChem CID118284741
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11(2)12-4-6-13(7-5-12)14-8-9-15(3)10-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyPVBPLJUOEIHFSB-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
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(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
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ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine
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2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
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1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine
CID 157084052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine (CID 118284741) is 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccc(C2CCN(C)C2)cc1.
What is the InChIKey of 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The InChIKey is PVBPLJUOEIHFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)12-4-6-13(7-5-12)14-8-9-15(3)10-14/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine has a molecular weight of 203.33 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 1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 118284741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).