1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one

C22H21NO — CID 157431999

IUPAC1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccccc1NCc1ccccc1
InChIInChI=1S/C22H21NO/c24-21(15-18-9-3-1-4-10-18)16-20-13-7-8-14-22(20)23-17-19-11-5-2-6-12-19/h1-14,23H,15-17H2
InChIKeyGSKXRPKIYVGIJF-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.65
Rot. Bonds7

About 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one

1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one (PubChem CID 157431999) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
PubChem CID157431999
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccccc1NCc1ccccc1
InChIInChI=1S/C22H21NO/c24-21(15-18-9-3-1-4-10-18)16-20-13-7-8-14-22(20)23-17-19-11-5-2-6-12-19/h1-14,23H,15-17H2
InChIKeyGSKXRPKIYVGIJF-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
N-benzyl-2-(chloromethyl)aniline
CID 15078992
[2-(benzylamino)phenyl]methyl acetate
CID 174839989
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
N-benzyl-2-methylaniline;propanoic acid
CID 175171674
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367
4-[[2-[2-(dimethylamino)ethyl]anilino]methyl]benzoic acid
CID 122033254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one (CID 157431999) is 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1ccccc1NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one?
The InChIKey is GSKXRPKIYVGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-21(15-18-9-3-1-4-10-18)16-20-13-7-8-14-22(20)23-17-19-11-5-2-6-12-19/h1-14,23H,15-17H2.
What are the key properties of 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one?
1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one has a molecular weight of 315.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one is sourced from PubChem (CID 157431999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).