1,5-bis[4-(methylamino)phenyl]pentan-3-one

C19H24N2O — CID 175944254

IUPAC1,5-bis[4-(methylamino)phenyl]pentan-3-one
SMILESCNc1ccc(CCC(=O)CCc2ccc(NC)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-20-17-9-3-15(4-10-17)7-13-19(22)14-8-16-5-11-18(21-2)12-6-16/h3-6,9-12,20-21H,7-8,13-14H2,1-2H3
InChIKeySDZKEGDRCKUWFB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.90
Rot. Bonds8

About 1,5-bis[4-(methylamino)phenyl]pentan-3-one

1,5-bis[4-(methylamino)phenyl]pentan-3-one (PubChem CID 175944254) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,5-bis[4-(methylamino)phenyl]pentan-3-one.

Molecular Properties

Compound Name1,5-bis[4-(methylamino)phenyl]pentan-3-one
PubChem CID175944254
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1,5-bis[4-(methylamino)phenyl]pentan-3-one
SMILESCNc1ccc(CCC(=O)CCc2ccc(NC)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-20-17-9-3-15(4-10-17)7-13-19(22)14-8-16-5-11-18(21-2)12-6-16/h3-6,9-12,20-21H,7-8,13-14H2,1-2H3
InChIKeySDZKEGDRCKUWFB-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
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4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one
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4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(methylamino)phenyl]pentan-3-one?
The IUPAC name of 1,5-bis[4-(methylamino)phenyl]pentan-3-one (CID 175944254) is 1,5-bis[4-(methylamino)phenyl]pentan-3-one.
What is the SMILES notation for 1,5-bis[4-(methylamino)phenyl]pentan-3-one?
The canonical SMILES for 1,5-bis[4-(methylamino)phenyl]pentan-3-one is CNc1ccc(CCC(=O)CCc2ccc(NC)cc2)cc1.
What is the InChIKey of 1,5-bis[4-(methylamino)phenyl]pentan-3-one?
The InChIKey is SDZKEGDRCKUWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-17-9-3-15(4-10-17)7-13-19(22)14-8-16-5-11-18(21-2)12-6-16/h3-6,9-12,20-21H,7-8,13-14H2,1-2H3.
What are the key properties of 1,5-bis[4-(methylamino)phenyl]pentan-3-one?
1,5-bis[4-(methylamino)phenyl]pentan-3-one has a molecular weight of 296.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(methylamino)phenyl]pentan-3-one is sourced from PubChem (CID 175944254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).