(4-aminophenyl)-(2,5-diethoxyphenyl)methanone

C17H19NO3 — CID 82267801

IUPAC(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
SMILESCCOc1ccc(OCC)c(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO3/c1-3-20-14-9-10-16(21-4-2)15(11-14)17(19)12-5-7-13(18)8-6-12/h5-11H,3-4,18H2,1-2H3
InChIKeyKXJPDZQBGWIOBB-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.30
Rot. Bonds6

About (4-aminophenyl)-(2,5-diethoxyphenyl)methanone

(4-aminophenyl)-(2,5-diethoxyphenyl)methanone (PubChem CID 82267801) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-aminophenyl)-(2,5-diethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
PubChem CID82267801
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
SMILESCCOc1ccc(OCC)c(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO3/c1-3-20-14-9-10-16(21-4-2)15(11-14)17(19)12-5-7-13(18)8-6-12/h5-11H,3-4,18H2,1-2H3
InChIKeyKXJPDZQBGWIOBB-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
diethyl 2-[1-(2,5-diethoxyphenyl)ethylidene]propanedioate
CID 54192722
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
2,4-diethoxybenzamide
CID 17145726
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,5-diethoxyphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,5-diethoxyphenyl)methanone (CID 82267801) is (4-aminophenyl)-(2,5-diethoxyphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,5-diethoxyphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,5-diethoxyphenyl)methanone is CCOc1ccc(OCC)c(C(=O)c2ccc(N)cc2)c1.
What is the InChIKey of (4-aminophenyl)-(2,5-diethoxyphenyl)methanone?
The InChIKey is KXJPDZQBGWIOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-20-14-9-10-16(21-4-2)15(11-14)17(19)12-5-7-13(18)8-6-12/h5-11H,3-4,18H2,1-2H3.
What are the key properties of (4-aminophenyl)-(2,5-diethoxyphenyl)methanone?
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,5-diethoxyphenyl)methanone is sourced from PubChem (CID 82267801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).