[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine

C14H21FN2 — CID 100597047

IUPAC[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
SMILESC[C@H](Cc1ccc(F)cc1)N1CCC[C@H]1CN
InChIInChI=1S/C14H21FN2/c1-11(17-8-2-3-14(17)10-16)9-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10,16H2,1H3/t11-,14+/m1/s1
InChIKeyCJTHVAHMTXTEJG-RISCZKNCSA-N
MW236.33 g/mol
LogP2.18
Rot. Bonds4

About [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine

[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 100597047) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID100597047
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
SMILESC[C@H](Cc1ccc(F)cc1)N1CCC[C@H]1CN
InChIInChI=1S/C14H21FN2/c1-11(17-8-2-3-14(17)10-16)9-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10,16H2,1H3/t11-,14+/m1/s1
InChIKeyCJTHVAHMTXTEJG-RISCZKNCSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine (CID 100597047) is [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine is C[C@H](Cc1ccc(F)cc1)N1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is CJTHVAHMTXTEJG-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(17-8-2-3-14(17)10-16)9-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10,16H2,1H3/t11-,14+/m1/s1.
What are the key properties of [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine?
[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 100597047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).