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

C13H17N — CID 26757

💊View drug profile → selegiline
IUPAC(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-N
MW187.29 g/mol
LogP2.18
Rot. Bonds4

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

(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (PubChem CID 26757) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
PubChem CID26757
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.18
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 (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (CID 26757) is (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@H](C)Cc1ccccc1.
What is the InChIKey of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is MEZLKOACVSPNER-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 26757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).