1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone

C15H23NO2 — CID 148581164

IUPAC1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone
SMILESCC(C)N(Cc1ccc(C(=O)CO)cc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)9-13-5-7-14(8-6-13)15(18)10-17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyMYTQCPFATDDKTM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds6

About 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone

1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone (PubChem CID 148581164) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone
PubChem CID148581164
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone
SMILESCC(C)N(Cc1ccc(C(=O)CO)cc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)9-13-5-7-14(8-6-13)15(18)10-17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyMYTQCPFATDDKTM-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone (CID 148581164) is 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone is CC(C)N(Cc1ccc(C(=O)CO)cc1)C(C)C.
What is the InChIKey of 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone?
The InChIKey is MYTQCPFATDDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)16(12(3)4)9-13-5-7-14(8-6-13)15(18)10-17/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone?
1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone has a molecular weight of 249.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 148581164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).