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Phenpromethamine

C10H15N — CID 22276

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-2-phenylpropan-1-amine
SMILESCNCC(C)c1ccccc1
InChIInChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyAUFSOOYCQYDGES-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.01
Rot. Bonds3

About Phenpromethamine

Phenpromethamine (PubChem CID 22276) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NamePhenpromethamine
PubChem CID22276
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-methyl-2-phenylpropan-1-amine
SMILESCNCC(C)c1ccccc1
InChIInChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyAUFSOOYCQYDGES-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Phenpromethamine?
The IUPAC name of Phenpromethamine (CID 22276) is N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for Phenpromethamine?
The canonical SMILES for Phenpromethamine is CNCC(C)c1ccccc1.
What is the InChIKey of Phenpromethamine?
The InChIKey is AUFSOOYCQYDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of Phenpromethamine?
Phenpromethamine has a molecular weight of 149.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phenpromethamine is sourced from PubChem (CID 22276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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