(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone

C17H19NO2 — CID 81414149

IUPAC(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCOc1cccc(N)c1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO2/c1-11(2)12-7-9-13(10-8-12)17(19)16-14(18)5-4-6-15(16)20-3/h4-11H,18H2,1-3H3
InChIKeyIINYTAPBWBMYNG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.63
Rot. Bonds4

About (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone

(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 81414149) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID81414149
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCOc1cccc(N)c1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO2/c1-11(2)12-7-9-13(10-8-12)17(19)16-14(18)5-4-6-15(16)20-3/h4-11H,18H2,1-3H3
InChIKeyIINYTAPBWBMYNG-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
ethyl 2-[3,4-diamino-2-(4-propan-2-ylbenzoyl)phenyl]acetate
CID 23450320
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
CID 81413886
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone (CID 81414149) is (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone is COc1cccc(N)c1C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is IINYTAPBWBMYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(2)12-7-9-13(10-8-12)17(19)16-14(18)5-4-6-15(16)20-3/h4-11H,18H2,1-3H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone?
(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 81414149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).