(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine

C9H19FN2 — CID 168909805

IUPAC(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](F)[C@@H](N(C)C)C1
InChIInChI=1S/C9H19FN2/c1-7(2)12-5-8(10)9(6-12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyJRZIDEFYTDVGFE-BDAKNGLRSA-N
MW174.26 g/mol
LogP0.98
Rot. Bonds2

About (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine

(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 168909805) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID168909805
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](F)[C@@H](N(C)C)C1
InChIInChI=1S/C9H19FN2/c1-7(2)12-5-8(10)9(6-12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyJRZIDEFYTDVGFE-BDAKNGLRSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
CID 130191633
[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
CID 174073343
(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 167501461
(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
CID 130301851
(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
CID 177078737
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
N-cyclopropyl-N-methyl-1-propan-2-ylazetidin-3-amine
CID 130218648
N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine
CID 167596054
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine (CID 168909805) is (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1C[C@@H](F)[C@@H](N(C)C)C1.
What is the InChIKey of (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is JRZIDEFYTDVGFE-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)12-5-8(10)9(6-12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 174.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 168909805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).