diphenylmethanamine;2-propylpentanoic acid

C21H29NO2 — CID 3075108

IUPACdiphenylmethanamine;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C8H16O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7(6-4-2)8(9)10/h1-10,13H,14H2;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyKDAZPULOCHUOAZ-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.02
Rot. Bonds7

About diphenylmethanamine;2-propylpentanoic acid

diphenylmethanamine;2-propylpentanoic acid (PubChem CID 3075108) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is diphenylmethanamine;2-propylpentanoic acid.

Molecular Properties

Compound Namediphenylmethanamine;2-propylpentanoic acid
PubChem CID3075108
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Namediphenylmethanamine;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C8H16O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7(6-4-2)8(9)10/h1-10,13H,14H2;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyKDAZPULOCHUOAZ-UHFFFAOYSA-N
XLogP5.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;2-propylpentanoic acid?
The IUPAC name of diphenylmethanamine;2-propylpentanoic acid (CID 3075108) is diphenylmethanamine;2-propylpentanoic acid.
What is the SMILES notation for diphenylmethanamine;2-propylpentanoic acid?
The canonical SMILES for diphenylmethanamine;2-propylpentanoic acid is CCCC(CCC)C(=O)O.NC(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanamine;2-propylpentanoic acid?
The InChIKey is KDAZPULOCHUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C8H16O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7(6-4-2)8(9)10/h1-10,13H,14H2;7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of diphenylmethanamine;2-propylpentanoic acid?
diphenylmethanamine;2-propylpentanoic acid has a molecular weight of 327.47 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;2-propylpentanoic acid is sourced from PubChem (CID 3075108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).