1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine

C15H26N2O — CID 142186715

IUPAC1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine
SMILESCC(=O)c1ccc(N)cc1.CCCN(CC)CC
InChIInChI=1S/C8H9NO.C7H17N/c1-6(10)7-2-4-8(9)5-3-7;1-4-7-8(5-2)6-3/h2-5H,9H2,1H3;4-7H2,1-3H3
InChIKeyYFTRSCGZKFLXRP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine

1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine (PubChem CID 142186715) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine
PubChem CID142186715
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine
SMILESCC(=O)c1ccc(N)cc1.CCCN(CC)CC
InChIInChI=1S/C8H9NO.C7H17N/c1-6(10)7-2-4-8(9)5-3-7;1-4-7-8(5-2)6-3/h2-5H,9H2,1H3;4-7H2,1-3H3
InChIKeyYFTRSCGZKFLXRP-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.21
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

2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
4-aminobenzoic acid;2-chloro-N,N-diethylethanamine
CID 174922963
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine?
The IUPAC name of 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine (CID 142186715) is 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine.
What is the SMILES notation for 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine?
The canonical SMILES for 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine is CC(=O)c1ccc(N)cc1.CCCN(CC)CC.
What is the InChIKey of 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine?
The InChIKey is YFTRSCGZKFLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H17N/c1-6(10)7-2-4-8(9)5-3-7;1-4-7-8(5-2)6-3/h2-5H,9H2,1H3;4-7H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine?
1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine is sourced from PubChem (CID 142186715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).