2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one

C20H25NO — CID 157231679

IUPAC2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one
SMILESCC(C)NCc1cc(C(=O)C(C)C)ccc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-14(2)20(22)17-10-11-19(16-8-6-5-7-9-16)18(12-17)13-21-15(3)4/h5-12,14-15,21H,13H2,1-4H3
InChIKeyAUEGEOXBIUPNBU-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.69
Rot. Bonds6

About 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one

2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one (PubChem CID 157231679) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one
PubChem CID157231679
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one
SMILESCC(C)NCc1cc(C(=O)C(C)C)ccc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-14(2)20(22)17-10-11-19(16-8-6-5-7-9-16)18(12-17)13-21-15(3)4/h5-12,14-15,21H,13H2,1-4H3
InChIKeyAUEGEOXBIUPNBU-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one (CID 157231679) is 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one is CC(C)NCc1cc(C(=O)C(C)C)ccc1-c1ccccc1.
What is the InChIKey of 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one?
The InChIKey is AUEGEOXBIUPNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)20(22)17-10-11-19(16-8-6-5-7-9-16)18(12-17)13-21-15(3)4/h5-12,14-15,21H,13H2,1-4H3.
What are the key properties of 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one?
2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one has a molecular weight of 295.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-phenyl-3-[(propan-2-ylamino)methyl]phenyl]propan-1-one is sourced from PubChem (CID 157231679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).