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

C13H19N — CID 5288103

IUPAC(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1
InChIKeyBVYBGDRWIWQPOV-GFCCVEGCSA-N
MW189.30 g/mol
LogP2.74
Rot. Bonds5

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

(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine (PubChem CID 5288103) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine
PubChem CID5288103
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1
InChIKeyBVYBGDRWIWQPOV-GFCCVEGCSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine (CID 5288103) is (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine is C=CCN(C)[C@H](C)Cc1ccccc1.
What is the InChIKey of (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine?
The InChIKey is BVYBGDRWIWQPOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine?
(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.74, 5 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-enylpropan-2-amine is sourced from PubChem (CID 5288103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).