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

C18H21NO — CID 82540854

IUPAC1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H21NO/c1-4-18(20)15-11-9-14(10-12-15)17-8-6-5-7-16(17)13-19(2)3/h5-12H,4,13H2,1-3H3
InChIKeySURXGHYYNQQGBM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds5

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

1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one (PubChem CID 82540854) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one
PubChem CID82540854
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H21NO/c1-4-18(20)15-11-9-14(10-12-15)17-8-6-5-7-16(17)13-19(2)3/h5-12H,4,13H2,1-3H3
InChIKeySURXGHYYNQQGBM-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one (CID 82540854) is 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccccc2CN(C)C)cc1.
What is the InChIKey of 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one?
The InChIKey is SURXGHYYNQQGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-18(20)15-11-9-14(10-12-15)17-8-6-5-7-16(17)13-19(2)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one?
1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 82540854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).