[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane

C18H23NO — CID 91033901

IUPAC[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane
SMILESCC.Cc1ccc(C(=O)c2ccccc2)cc1N(C)C
InChIInChI=1S/C16H17NO.C2H6/c1-12-9-10-14(11-15(12)17(2)3)16(18)13-7-5-4-6-8-13;1-2/h4-11H,1-3H3;1-2H3
InChIKeyODCAFMDHLOVNDH-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.32
Rot. Bonds3

About [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane

[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane (PubChem CID 91033901) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane
PubChem CID91033901
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane
SMILESCC.Cc1ccc(C(=O)c2ccccc2)cc1N(C)C
InChIInChI=1S/C16H17NO.C2H6/c1-12-9-10-14(11-15(12)17(2)3)16(18)13-7-5-4-6-8-13;1-2/h4-11H,1-3H3;1-2H3
InChIKeyODCAFMDHLOVNDH-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane?
The IUPAC name of [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane (CID 91033901) is [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane.
What is the SMILES notation for [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane?
The canonical SMILES for [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane is CC.Cc1ccc(C(=O)c2ccccc2)cc1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane?
The InChIKey is ODCAFMDHLOVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C2H6/c1-12-9-10-14(11-15(12)17(2)3)16(18)13-7-5-4-6-8-13;1-2/h4-11H,1-3H3;1-2H3.
What are the key properties of [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane?
[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane has a molecular weight of 269.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane is sourced from PubChem (CID 91033901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).