1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone

C18H22N2O3 — CID 129110007

IUPAC1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone
SMILESCOc1cccc(N(C)N)c1COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-10-14(13(2)21)8-9-17(12)23-11-15-16(20(3)19)6-5-7-18(15)22-4/h5-10H,11,19H2,1-4H3
InChIKeyABDZWRGWZUXGFK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone

1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone (PubChem CID 129110007) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone
PubChem CID129110007
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone
SMILESCOc1cccc(N(C)N)c1COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-10-14(13(2)21)8-9-17(12)23-11-15-16(20(3)19)6-5-7-18(15)22-4/h5-10H,11,19H2,1-4H3
InChIKeyABDZWRGWZUXGFK-UHFFFAOYSA-N
XLogP3.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(2-methylpropanoyl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109890
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158
1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
CID 129109961
1-amino-3-[2-[[4-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylurea
CID 129110080
ethyl 4-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]-3-methyl-2,4-dioxobutanoate;formohydrazide
CID 144820644
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1H-pyrazol-5-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109994
1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
CID 144784943
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109733
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]phenyl]-3-methylurea
CID 144597778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone (CID 129110007) is 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone is COc1cccc(N(C)N)c1COc1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone?
The InChIKey is ABDZWRGWZUXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-14(13(2)21)8-9-17(12)23-11-15-16(20(3)19)6-5-7-18(15)22-4/h5-10H,11,19H2,1-4H3.
What are the key properties of 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone?
1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 129110007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).