N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine

C12H14N2O — CID 115212393

IUPACN-[(4-aminophenyl)methyl]-5-methylfuran-2-amine
SMILESCc1ccc(NCc2ccc(N)cc2)o1
InChIInChI=1S/C12H14N2O/c1-9-2-7-12(15-9)14-8-10-3-5-11(13)6-4-10/h2-7,14H,8,13H2,1H3
InChIKeyAFXHYPDGDPDHSF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.78
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine

N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine (PubChem CID 115212393) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-methylfuran-2-amine
PubChem CID115212393
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[(4-aminophenyl)methyl]-5-methylfuran-2-amine
SMILESCc1ccc(NCc2ccc(N)cc2)o1
InChIInChI=1S/C12H14N2O/c1-9-2-7-12(15-9)14-8-10-3-5-11(13)6-4-10/h2-7,14H,8,13H2,1H3
InChIKeyAFXHYPDGDPDHSF-UHFFFAOYSA-N
XLogP2.78
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine (CID 115212393) is N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine is Cc1ccc(NCc2ccc(N)cc2)o1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine?
The InChIKey is AFXHYPDGDPDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-2-7-12(15-9)14-8-10-3-5-11(13)6-4-10/h2-7,14H,8,13H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine?
N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine has a molecular weight of 202.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-methylfuran-2-amine is sourced from PubChem (CID 115212393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).