(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine

C13H16FN — CID 14771956

IUPAC(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3/t11-/m0/s1
InChIKeyMUDUXRHPVDVWHU-NSHDSACASA-N
MW205.28 g/mol
LogP2.32
Rot. Bonds4

About (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine

(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine (PubChem CID 14771956) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
PubChem CID14771956
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3/t11-/m0/s1
InChIKeyMUDUXRHPVDVWHU-NSHDSACASA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
4-[2-[prop-2-ynyl(trideuteriomethyl)amino]propyl]aniline
CID 71313195
2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]benzene-1,4-diol
CID 122179927
3-(4-methylphenyl)-2-[methyl(prop-2-ynyl)amino]propanal
CID 58052644
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87600437
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine (CID 14771956) is (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@@H](C)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is MUDUXRHPVDVWHU-NSHDSACASA-N. The full InChI is InChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine?
(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 14771956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).