3-(furan-2-yl)-4-methylaniline

C11H11NO — CID 61319019

IUPAC3-(furan-2-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccco1
InChIInChI=1S/C11H11NO/c1-8-4-5-9(12)7-10(8)11-3-2-6-13-11/h2-7H,12H2,1H3
InChIKeyUQOJQXCLRGCVTR-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.84
Rot. Bonds1

About 3-(furan-2-yl)-4-methylaniline

3-(furan-2-yl)-4-methylaniline (PubChem CID 61319019) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(furan-2-yl)-4-methylaniline
PubChem CID61319019
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-(furan-2-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccco1
InChIInChI=1S/C11H11NO/c1-8-4-5-9(12)7-10(8)11-3-2-6-13-11/h2-7H,12H2,1H3
InChIKeyUQOJQXCLRGCVTR-UHFFFAOYSA-N
XLogP2.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.84
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 3-(furan-2-yl)-4-methylaniline?
The IUPAC name of 3-(furan-2-yl)-4-methylaniline (CID 61319019) is 3-(furan-2-yl)-4-methylaniline.
What is the SMILES notation for 3-(furan-2-yl)-4-methylaniline?
The canonical SMILES for 3-(furan-2-yl)-4-methylaniline is Cc1ccc(N)cc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-methylaniline?
The InChIKey is UQOJQXCLRGCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-4-5-9(12)7-10(8)11-3-2-6-13-11/h2-7H,12H2,1H3.
What are the key properties of 3-(furan-2-yl)-4-methylaniline?
3-(furan-2-yl)-4-methylaniline has a molecular weight of 173.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-methylaniline is sourced from PubChem (CID 61319019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).