1-[2-amino-4-(4-butylanilino)phenyl]ethanone

C18H22N2O — CID 104528379

IUPAC1-[2-amino-4-(4-butylanilino)phenyl]ethanone
SMILESCCCCc1ccc(Nc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-5-14-6-8-15(9-7-14)20-16-10-11-17(13(2)21)18(19)12-16/h6-12,20H,3-5,19H2,1-2H3
InChIKeyKGLAHUIPPKSMCE-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.56
Rot. Bonds6

About 1-[2-amino-4-(4-butylanilino)phenyl]ethanone

1-[2-amino-4-(4-butylanilino)phenyl]ethanone (PubChem CID 104528379) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-amino-4-(4-butylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4-butylanilino)phenyl]ethanone
PubChem CID104528379
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-amino-4-(4-butylanilino)phenyl]ethanone
SMILESCCCCc1ccc(Nc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-5-14-6-8-15(9-7-14)20-16-10-11-17(13(2)21)18(19)12-16/h6-12,20H,3-5,19H2,1-2H3
InChIKeyKGLAHUIPPKSMCE-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
4-(4-acetyl-3-aminoanilino)benzonitrile
CID 104528321
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320
1-[2-(4-pentylanilino)phenyl]ethanone
CID 155289993
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
CID 104528314
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
methyl 2-amino-5-(4-propylanilino)benzoate
CID 63425762
1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 104528229
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100635916

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-butylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(4-butylanilino)phenyl]ethanone (CID 104528379) is 1-[2-amino-4-(4-butylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4-butylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4-butylanilino)phenyl]ethanone is CCCCc1ccc(Nc2ccc(C(C)=O)c(N)c2)cc1.
What is the InChIKey of 1-[2-amino-4-(4-butylanilino)phenyl]ethanone?
The InChIKey is KGLAHUIPPKSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-4-5-14-6-8-15(9-7-14)20-16-10-11-17(13(2)21)18(19)12-16/h6-12,20H,3-5,19H2,1-2H3.
What are the key properties of 1-[2-amino-4-(4-butylanilino)phenyl]ethanone?
1-[2-amino-4-(4-butylanilino)phenyl]ethanone has a molecular weight of 282.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-butylanilino)phenyl]ethanone is sourced from PubChem (CID 104528379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).