1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one

C15H24N2O — CID 146976861

IUPAC1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one
SMILESCCNc1cc(NC(C)C)cc(C(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-6-16-13-7-12(15(18)10(2)3)8-14(9-13)17-11(4)5/h7-11,16-17H,6H2,1-5H3
InChIKeyANNNDDARONQURE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.78
Rot. Bonds6

About 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one

1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one (PubChem CID 146976861) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one
PubChem CID146976861
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one
SMILESCCNc1cc(NC(C)C)cc(C(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-6-16-13-7-12(15(18)10(2)3)8-14(9-13)17-11(4)5/h7-11,16-17H,6H2,1-5H3
InChIKeyANNNDDARONQURE-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-bis(propan-2-ylamino)phenyl]-2-methylpropan-1-one;methane;2-methyl-1-[3-(2-methylpropanoyl)-5-(propan-2-ylamino)phenyl]propan-1-one;1-N,3-N,5-N-tri(propan-2-yl)benzene-1,3,5-triamine
CID 161220157
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 23390748
3-(methylamino)-5-(propan-2-ylamino)benzoic acid
CID 129261786
N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 177095457
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 113423726
methyl 3-(ethylamino)-5-methylbenzoate
CID 58789800
5-(butan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 79694524
ethane;2-[[3-[(7-methyl-6-oxooctyl)amino]-5-(2-methylpropanoyl)benzoyl]amino]acetic acid
CID 178048670
2-ethyl-4-(propan-2-ylamino)phenol
CID 174681793

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one (CID 146976861) is 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one is CCNc1cc(NC(C)C)cc(C(=O)C(C)C)c1.
What is the InChIKey of 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one?
The InChIKey is ANNNDDARONQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-16-13-7-12(15(18)10(2)3)8-14(9-13)17-11(4)5/h7-11,16-17H,6H2,1-5H3.
What are the key properties of 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one?
1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 146976861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).