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

C13H16FN — CID 87394089

IUPAC(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNC[C@@H](C)[C@@H](F)c1ccccc1
InChIInChI=1S/C13H16FN/c1-3-9-15-10-11(2)13(14)12-7-5-4-6-8-12/h1,4-8,11,13,15H,9-10H2,2H3/t11-,13-/m1/s1
InChIKeyPAUXQWNDKFQWJP-DGCLKSJQSA-N
MW205.28 g/mol
LogP2.56
Rot. Bonds5

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

(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine (PubChem CID 87394089) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine
PubChem CID87394089
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNC[C@@H](C)[C@@H](F)c1ccccc1
InChIInChI=1S/C13H16FN/c1-3-9-15-10-11(2)13(14)12-7-5-4-6-8-12/h1,4-8,11,13,15H,9-10H2,2H3/t11-,13-/m1/s1
InChIKeyPAUXQWNDKFQWJP-DGCLKSJQSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
CID 121446388
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
2,3-dimethyl-N-prop-2-ynylbutan-1-amine
CID 64568255
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
2-phenylmethoxy-N-prop-2-ynylpropan-1-amine
CID 62566311
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine?
The IUPAC name of (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine (CID 87394089) is (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine is C#CCNC[C@@H](C)[C@@H](F)c1ccccc1.
What is the InChIKey of (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine?
The InChIKey is PAUXQWNDKFQWJP-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16FN/c1-3-9-15-10-11(2)13(14)12-7-5-4-6-8-12/h1,4-8,11,13,15H,9-10H2,2H3/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine?
(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 87394089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).