(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone

C15H15NO2 — CID 95423867

IUPAC(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
SMILESCc1cc(O)cc(C)c1C(=O)c1cccc(N)c1
InChIInChI=1S/C15H15NO2/c1-9-6-13(17)7-10(2)14(9)15(18)11-4-3-5-12(16)8-11/h3-8,17H,16H2,1-2H3
InChIKeyNUDOFAKFUWLSTR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.82
Rot. Bonds2

About (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone

(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone (PubChem CID 95423867) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
PubChem CID95423867
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
SMILESCc1cc(O)cc(C)c1C(=O)c1cccc(N)c1
InChIInChI=1S/C15H15NO2/c1-9-6-13(17)7-10(2)14(9)15(18)11-4-3-5-12(16)8-11/h3-8,17H,16H2,1-2H3
InChIKeyNUDOFAKFUWLSTR-UHFFFAOYSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
3-(3-aminobenzoyl)benzoic acid
CID 18974175
(2,4,6-trimethylphenyl)methyl 3-aminobenzoate
CID 62548298
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone (CID 95423867) is (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone is Cc1cc(O)cc(C)c1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone?
The InChIKey is NUDOFAKFUWLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-6-13(17)7-10(2)14(9)15(18)11-4-3-5-12(16)8-11/h3-8,17H,16H2,1-2H3.
What are the key properties of (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone?
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 95423867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).