(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone

C13H13NO2 — CID 114823601

IUPAC(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(C)c2)co1
InChIInChI=1S/C13H13NO2/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7H,14H2,1-2H3
InChIKeyVNHDULAOADTPKY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.71
Rot. Bonds2

About (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone

(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114823601) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114823601
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(C)c2)co1
InChIInChI=1S/C13H13NO2/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7H,14H2,1-2H3
InChIKeyVNHDULAOADTPKY-UHFFFAOYSA-N
XLogP2.71
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
4-amino-3-methyl-N-oxobenzamide
CID 89119624
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanone
CID 114819642
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114819640

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone (CID 114823601) is (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccc(N)c(C)c2)co1.
What is the InChIKey of (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is VNHDULAOADTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7H,14H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone?
(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114823601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).