(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

C16H17NO3 — CID 104784994

IUPAC(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H17NO3/c1-10-4-7-14(19-2)13(8-10)16(18)12-6-5-11(17)9-15(12)20-3/h4-9H,17H2,1-3H3
InChIKeyNVRRQDSHLIBSNM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.83
Rot. Bonds4

About (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 104784994) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID104784994
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H17NO3/c1-10-4-7-14(19-2)13(8-10)16(18)12-6-5-11(17)9-15(12)20-3/h4-9H,17H2,1-3H3
InChIKeyNVRRQDSHLIBSNM-UHFFFAOYSA-N
XLogP2.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.83
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

(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764
2-(4-aminophenyl)-1-(2-methoxy-5-methylphenyl)-2-methylpropan-1-one
CID 116598819
ethyl 5-amino-2-methoxybenzoate
CID 22180184
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350296
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (CID 104784994) is (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is COc1cc(N)ccc1C(=O)c1cc(C)ccc1OC.
What is the InChIKey of (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is NVRRQDSHLIBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-4-7-14(19-2)13(8-10)16(18)12-6-5-11(17)9-15(12)20-3/h4-9H,17H2,1-3H3.
What are the key properties of (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 104784994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).