1-[4-[4-(dimethylamino)anilino]phenyl]ethanone

C16H18N2O — CID 82536662

IUPAC1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(19)13-4-6-14(7-5-13)17-15-8-10-16(11-9-15)18(2)3/h4-11,17H,1-3H3
InChIKeyIHVRFCUGRTUPAG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone

1-[4-[4-(dimethylamino)anilino]phenyl]ethanone (PubChem CID 82536662) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
PubChem CID82536662
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(19)13-4-6-14(7-5-13)17-15-8-10-16(11-9-15)18(2)3/h4-11,17H,1-3H3
InChIKeyIHVRFCUGRTUPAG-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[4-(dimethylamino)anilino]benzenesulfonic acid
CID 22146835
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
methyl N-(4-acetylphenyl)-N-methylcarbamate
CID 132820157
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone (CID 82536662) is 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone?
The InChIKey is IHVRFCUGRTUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)13-4-6-14(7-5-13)17-15-8-10-16(11-9-15)18(2)3/h4-11,17H,1-3H3.
What are the key properties of 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone?
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)anilino]phenyl]ethanone is sourced from PubChem (CID 82536662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).