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

C8H17FN2 — CID 167501461

IUPAC(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCN[C@H]1CN(C(C)C)C[C@@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-7(9)8(5-11)10-3/h6-8,10H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyXVLNYXOBSVGDJJ-YUMQZZPRSA-N
MW160.24 g/mol
LogP0.64
Rot. Bonds2

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

(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 167501461) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID167501461
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCN[C@H]1CN(C(C)C)C[C@@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-7(9)8(5-11)10-3/h6-8,10H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyXVLNYXOBSVGDJJ-YUMQZZPRSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
CID 177078737
ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
CID 142347878
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 168909805
[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
CID 174073343
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
CID 129237445
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
N,3-dimethyl-1-propan-2-ylazepan-4-amine
CID 142347784
(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
CID 174295591
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine (CID 167501461) is (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine is CN[C@H]1CN(C(C)C)C[C@@H]1F.
What is the InChIKey of (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is XVLNYXOBSVGDJJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(2)11-4-7(9)8(5-11)10-3/h6-8,10H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 167501461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).