(4-amino-2-ethoxyphenyl)-phenylmethanone

C15H15NO2 — CID 23323350

IUPAC(4-amino-2-ethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(N)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-18-14-10-12(16)8-9-13(14)15(17)11-6-4-3-5-7-11/h3-10H,2,16H2,1H3
InChIKeyZHSGGDYFNBQGDA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.90
Rot. Bonds4

About (4-amino-2-ethoxyphenyl)-phenylmethanone

(4-amino-2-ethoxyphenyl)-phenylmethanone (PubChem CID 23323350) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4-amino-2-ethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-2-ethoxyphenyl)-phenylmethanone
PubChem CID23323350
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4-amino-2-ethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(N)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-18-14-10-12(16)8-9-13(14)15(17)11-6-4-3-5-7-11/h3-10H,2,16H2,1H3
InChIKeyZHSGGDYFNBQGDA-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.90
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

1-(4-benzoyl-3-ethoxyphenyl)prop-2-en-1-one
CID 90156822
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
4-benzoyl-3-butoxybenzoic acid
CID 21440121
4-amino-2-benzoylbenzoic acid
CID 21494601
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-ethoxyphenyl)-phenylmethanone?
The IUPAC name of (4-amino-2-ethoxyphenyl)-phenylmethanone (CID 23323350) is (4-amino-2-ethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-amino-2-ethoxyphenyl)-phenylmethanone?
The canonical SMILES for (4-amino-2-ethoxyphenyl)-phenylmethanone is CCOc1cc(N)ccc1C(=O)c1ccccc1.
What is the InChIKey of (4-amino-2-ethoxyphenyl)-phenylmethanone?
The InChIKey is ZHSGGDYFNBQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-14-10-12(16)8-9-13(14)15(17)11-6-4-3-5-7-11/h3-10H,2,16H2,1H3.
What are the key properties of (4-amino-2-ethoxyphenyl)-phenylmethanone?
(4-amino-2-ethoxyphenyl)-phenylmethanone has a molecular weight of 241.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-ethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 23323350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).