(2R)-1-phenyl-N-propylpropan-2-amine

C12H19N — CID 54315083

IUPAC(2R)-1-phenyl-N-propylpropan-2-amine
SMILESCCCN[C@H](C)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeySNPGTHLGFHVIDA-LLVKDONJSA-N
MW177.29 g/mol
LogP2.62
Rot. Bonds5

About (2R)-1-phenyl-N-propylpropan-2-amine

(2R)-1-phenyl-N-propylpropan-2-amine (PubChem CID 54315083) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2R)-1-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-phenyl-N-propylpropan-2-amine
PubChem CID54315083
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2R)-1-phenyl-N-propylpropan-2-amine
SMILESCCCN[C@H](C)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeySNPGTHLGFHVIDA-LLVKDONJSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenyl-N-propylpropan-2-amine?
The IUPAC name of (2R)-1-phenyl-N-propylpropan-2-amine (CID 54315083) is (2R)-1-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for (2R)-1-phenyl-N-propylpropan-2-amine?
The canonical SMILES for (2R)-1-phenyl-N-propylpropan-2-amine is CCCN[C@H](C)Cc1ccccc1.
What is the InChIKey of (2R)-1-phenyl-N-propylpropan-2-amine?
The InChIKey is SNPGTHLGFHVIDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-phenyl-N-propylpropan-2-amine?
(2R)-1-phenyl-N-propylpropan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 54315083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).