5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine

C12H25FN2 — CID 59289523

IUPAC5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
SMILESCC(C)N(C(C)C)C1CC(CF)N(C)C1
InChIInChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-11(7-13)14(5)8-12/h9-12H,6-8H2,1-5H3
InChIKeyPRZOINZAERBMHS-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.15
Rot. Bonds4

About 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine

5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine (PubChem CID 59289523) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
PubChem CID59289523
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
SMILESCC(C)N(C(C)C)C1CC(CF)N(C)C1
InChIInChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-11(7-13)14(5)8-12/h9-12H,6-8H2,1-5H3
InChIKeyPRZOINZAERBMHS-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoropyrrolidin-1-yl)-N,N-dimethylethanamine
CID 57911641
N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289511
N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289519
5-(fluoromethyl)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289535
N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289554
4-fluoro-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
CID 59289573
4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289574
N-cyclopropyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289583
1,2-Diethyl-4-fluoropyrrolidine
CID 66831179
4-Fluoro-2-methyl-1-propan-2-ylpyrrolidine
CID 68061537
1-Ethyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 68166276
2-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethylethanamine
CID 68318341

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine (CID 59289523) is 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine is CC(C)N(C(C)C)C1CC(CF)N(C)C1.
What is the InChIKey of 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine?
The InChIKey is PRZOINZAERBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-9(2)15(10(3)4)12-6-11(7-13)14(5)8-12/h9-12H,6-8H2,1-5H3.
What are the key properties of 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine?
5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine has a molecular weight of 216.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 59289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).