2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride

C14H15ClN2O3 — CID 175674600

IUPAC2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cc(Oc2ccccc2)c(N)cc1O
InChIInChI=1S/C14H14N2O3.ClH/c15-8-13(18)10-6-14(11(16)7-12(10)17)19-9-4-2-1-3-5-9;/h1-7,17H,8,15-16H2;1H
InChIKeyPNNIGPSNUBDXOX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride

2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride (PubChem CID 175674600) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride
PubChem CID175674600
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cc(Oc2ccccc2)c(N)cc1O
InChIInChI=1S/C14H14N2O3.ClH/c15-8-13(18)10-6-14(11(16)7-12(10)17)19-9-4-2-1-3-5-9;/h1-7,17H,8,15-16H2;1H
InChIKeyPNNIGPSNUBDXOX-UHFFFAOYSA-N
XLogP2.33
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
1-(2-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885763
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
4,6-diphenoxybenzene-1,3-diol
CID 90212443
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
CID 117306698
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride (CID 175674600) is 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride is Cl.NCC(=O)c1cc(Oc2ccccc2)c(N)cc1O.
What is the InChIKey of 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride?
The InChIKey is PNNIGPSNUBDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.ClH/c15-8-13(18)10-6-14(11(16)7-12(10)17)19-9-4-2-1-3-5-9;/h1-7,17H,8,15-16H2;1H.
What are the key properties of 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride?
2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride has a molecular weight of 294.74 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 175674600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).