[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone

C19H24N2O — CID 39407093

IUPAC[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2cc(C)ccc2C)cc1N
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)18-10-9-15(12-17(18)20)19(22)16-11-13(3)7-8-14(16)4/h7-12H,5-6,20H2,1-4H3
InChIKeyPQAWTBGWZVWBAN-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.96
Rot. Bonds5

About [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone

[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone (PubChem CID 39407093) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone
PubChem CID39407093
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2cc(C)ccc2C)cc1N
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)18-10-9-15(12-17(18)20)19(22)16-11-13(3)7-8-14(16)4/h7-12H,5-6,20H2,1-4H3
InChIKeyPQAWTBGWZVWBAN-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[ethyl-[(4-methylphenyl)methyl]amino]benzoic acid
CID 63119000
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
3-amino-4-[ethyl(2-ethylsulfonylethyl)amino]benzoic acid
CID 63119018
ethyl 3-amino-4-[ethyl(3-hydroxypropyl)amino]benzoate
CID 113468914
(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705
3-amino-4-[ethyl(3-fluoropropyl)amino]benzoic acid
CID 81105948
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone (CID 39407093) is [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone is CCN(CC)c1ccc(C(=O)c2cc(C)ccc2C)cc1N.
What is the InChIKey of [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone?
The InChIKey is PQAWTBGWZVWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-21(6-2)18-10-9-15(12-17(18)20)19(22)16-11-13(3)7-8-14(16)4/h7-12H,5-6,20H2,1-4H3.
What are the key properties of [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone?
[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone has a molecular weight of 296.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 39407093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).