3-(furan-2-yl)aniline

C10H9NO — CID 4161309

IUPAC3-(furan-2-yl)aniline
SMILESNc1cccc(-c2ccco2)c1
InChIInChI=1S/C10H9NO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
InChIKeySLNKACMTMZYMNA-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.53
Rot. Bonds1

About 3-(furan-2-yl)aniline

3-(furan-2-yl)aniline (PubChem CID 4161309) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(furan-2-yl)aniline.

Molecular Properties

Compound Name3-(furan-2-yl)aniline
PubChem CID4161309
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-(furan-2-yl)aniline
SMILESNc1cccc(-c2ccco2)c1
InChIInChI=1S/C10H9NO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
InChIKeySLNKACMTMZYMNA-UHFFFAOYSA-N
XLogP2.53
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Nitrophenyl)furfural
CID 612417
3-(3-Furanyl)benzenamine
CID 16203332
4-(3-Furanyl)benzenamine
CID 44420988
3-(5-Methylfuran-2-yl)aniline
CID 793234
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
6-Aminoflavone
CID 16217320
5-Amino-2-(2-furylmethylene)-1-indanone
CID 763676
3-(4-Ethylanilino)-5-(2-furyl)cyclohex-2-en-1-one
CID 2887084
5-(3-Amino-4-methylphenyl)-2-furanmethanol
CID 2987173
[5-(3-Aminophenyl)furan-2-yl]methanol
CID 1090743
1-Benzofuran-5-amine
CID 1477152
N-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
CID 5735881

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)aniline?
The IUPAC name of 3-(furan-2-yl)aniline (CID 4161309) is 3-(furan-2-yl)aniline.
What is the SMILES notation for 3-(furan-2-yl)aniline?
The canonical SMILES for 3-(furan-2-yl)aniline is Nc1cccc(-c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)aniline?
The InChIKey is SLNKACMTMZYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2.
What are the key properties of 3-(furan-2-yl)aniline?
3-(furan-2-yl)aniline has a molecular weight of 159.19 g/mol, XLogP of 2.53, 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)aniline is sourced from PubChem (CID 4161309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).