2-methyl-5-(5-methylfuran-2-yl)aniline

C12H13NO — CID 61317392

IUPAC2-methyl-5-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2ccc(C)c(N)c2)o1
InChIInChI=1S/C12H13NO/c1-8-3-5-10(7-11(8)13)12-6-4-9(2)14-12/h3-7H,13H2,1-2H3
InChIKeyHKJNDMKMESONOK-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.15
Rot. Bonds1

About 2-methyl-5-(5-methylfuran-2-yl)aniline

2-methyl-5-(5-methylfuran-2-yl)aniline (PubChem CID 61317392) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-5-(5-methylfuran-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(5-methylfuran-2-yl)aniline
PubChem CID61317392
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-methyl-5-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2ccc(C)c(N)c2)o1
InChIInChI=1S/C12H13NO/c1-8-3-5-10(7-11(8)13)12-6-4-9(2)14-12/h3-7H,13H2,1-2H3
InChIKeyHKJNDMKMESONOK-UHFFFAOYSA-N
XLogP3.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)aniline?
The IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)aniline (CID 61317392) is 2-methyl-5-(5-methylfuran-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-(5-methylfuran-2-yl)aniline?
The canonical SMILES for 2-methyl-5-(5-methylfuran-2-yl)aniline is Cc1ccc(-c2ccc(C)c(N)c2)o1.
What is the InChIKey of 2-methyl-5-(5-methylfuran-2-yl)aniline?
The InChIKey is HKJNDMKMESONOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-3-5-10(7-11(8)13)12-6-4-9(2)14-12/h3-7H,13H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methylfuran-2-yl)aniline?
2-methyl-5-(5-methylfuran-2-yl)aniline has a molecular weight of 187.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylfuran-2-yl)aniline is sourced from PubChem (CID 61317392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).