2-[5-(aminomethyl)furan-2-yl]aniline;methanol

C12H16N2O2 — CID 153370257

IUPAC2-[5-(aminomethyl)furan-2-yl]aniline;methanol
SMILESCO.NCc1ccc(-c2ccccc2N)o1
InChIInChI=1S/C11H12N2O.CH4O/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13;1-2/h1-6H,7,12-13H2;2H,1H3
InChIKeyDKRIRUDPBFWFNL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.60
Rot. Bonds2

About 2-[5-(aminomethyl)furan-2-yl]aniline;methanol

2-[5-(aminomethyl)furan-2-yl]aniline;methanol (PubChem CID 153370257) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[5-(aminomethyl)furan-2-yl]aniline;methanol.

Molecular Properties

Compound Name2-[5-(aminomethyl)furan-2-yl]aniline;methanol
PubChem CID153370257
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[5-(aminomethyl)furan-2-yl]aniline;methanol
SMILESCO.NCc1ccc(-c2ccccc2N)o1
InChIInChI=1S/C11H12N2O.CH4O/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13;1-2/h1-6H,7,12-13H2;2H,1H3
InChIKeyDKRIRUDPBFWFNL-UHFFFAOYSA-N
XLogP1.60
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[5-(aminomethyl)furan-2-yl]aniline;methanol?
The IUPAC name of 2-[5-(aminomethyl)furan-2-yl]aniline;methanol (CID 153370257) is 2-[5-(aminomethyl)furan-2-yl]aniline;methanol.
What is the SMILES notation for 2-[5-(aminomethyl)furan-2-yl]aniline;methanol?
The canonical SMILES for 2-[5-(aminomethyl)furan-2-yl]aniline;methanol is CO.NCc1ccc(-c2ccccc2N)o1.
What is the InChIKey of 2-[5-(aminomethyl)furan-2-yl]aniline;methanol?
The InChIKey is DKRIRUDPBFWFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.CH4O/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13;1-2/h1-6H,7,12-13H2;2H,1H3.
What are the key properties of 2-[5-(aminomethyl)furan-2-yl]aniline;methanol?
2-[5-(aminomethyl)furan-2-yl]aniline;methanol has a molecular weight of 220.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)furan-2-yl]aniline;methanol is sourced from PubChem (CID 153370257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).