(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine

C13H16FN — CID 57392799

IUPAC(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](CF)Cc1ccccc1
InChIInChI=1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1
InChIKeyFPPVPPCQNSSPGJ-ZDUSSCGKSA-N
MW205.28 g/mol
LogP2.13
Rot. Bonds5

About (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine

(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine (PubChem CID 57392799) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine
PubChem CID57392799
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](CF)Cc1ccccc1
InChIInChI=1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1
InChIKeyFPPVPPCQNSSPGJ-ZDUSSCGKSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine (CID 57392799) is (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@H](CF)Cc1ccccc1.
What is the InChIKey of (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is FPPVPPCQNSSPGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine?
(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 57392799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).