1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine

C16H33FN2 — CID 166766987

IUPAC1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
SMILESCC(C)C(C)[C@@H]1[C@@H](CN(C)C)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C16H33FN2/c1-11(2)12(3)15-13(9-18(7)8)14(17)10-19(15)16(4,5)6/h11-15H,9-10H2,1-8H3/t12?,13-,14-,15+/m0/s1
InChIKeyREAXFUYNIPFOCS-WIGRTHMWSA-N
MW272.45 g/mol
LogP3.28
Rot. Bonds4

About 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine

1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 166766987) has the molecular formula C16H33FN2 and a molecular weight of 272.45 g/mol. Its IUPAC name is 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
PubChem CID166766987
Molecular FormulaC16H33FN2
Molecular Weight272.45 g/mol
Exact Mass272.26
IUPAC Name1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
SMILESCC(C)C(C)[C@@H]1[C@@H](CN(C)C)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C16H33FN2/c1-11(2)12(3)15-13(9-18(7)8)14(17)10-19(15)16(4,5)6/h11-15H,9-10H2,1-8H3/t12?,13-,14-,15+/m0/s1
InChIKeyREAXFUYNIPFOCS-WIGRTHMWSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine (CID 166766987) is 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine is CC(C)C(C)[C@@H]1[C@@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is REAXFUYNIPFOCS-WIGRTHMWSA-N. The full InChI is InChI=1S/C16H33FN2/c1-11(2)12(3)15-13(9-18(7)8)14(17)10-19(15)16(4,5)6/h11-15H,9-10H2,1-8H3/t12?,13-,14-,15+/m0/s1.
What are the key properties of 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine?
1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 272.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166766987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).