1-[3-(2-phenylethylamino)phenyl]propan-2-one

C17H19NO — CID 69386114

IUPAC1-[3-(2-phenylethylamino)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-14(19)12-16-8-5-9-17(13-16)18-11-10-15-6-3-2-4-7-15/h2-9,13,18H,10-12H2,1H3
InChIKeyASBDAHODQOANIX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds6

About 1-[3-(2-phenylethylamino)phenyl]propan-2-one

1-[3-(2-phenylethylamino)phenyl]propan-2-one (PubChem CID 69386114) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(2-phenylethylamino)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-phenylethylamino)phenyl]propan-2-one
PubChem CID69386114
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[3-(2-phenylethylamino)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-14(19)12-16-8-5-9-17(13-16)18-11-10-15-6-3-2-4-7-15/h2-9,13,18H,10-12H2,1H3
InChIKeyASBDAHODQOANIX-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;N-(2-phenylethyl)aniline
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N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
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3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
benzene;1-phenylpropan-2-one
CID 21430852
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethylamino)phenyl]propan-2-one?
The IUPAC name of 1-[3-(2-phenylethylamino)phenyl]propan-2-one (CID 69386114) is 1-[3-(2-phenylethylamino)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(2-phenylethylamino)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(2-phenylethylamino)phenyl]propan-2-one is CC(=O)Cc1cccc(NCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-phenylethylamino)phenyl]propan-2-one?
The InChIKey is ASBDAHODQOANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(19)12-16-8-5-9-17(13-16)18-11-10-15-6-3-2-4-7-15/h2-9,13,18H,10-12H2,1H3.
What are the key properties of 1-[3-(2-phenylethylamino)phenyl]propan-2-one?
1-[3-(2-phenylethylamino)phenyl]propan-2-one has a molecular weight of 253.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethylamino)phenyl]propan-2-one is sourced from PubChem (CID 69386114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).