N-(furan-3-ylmethyl)aniline

C11H11NO — CID 18938795

IUPACN-(furan-3-ylmethyl)aniline
SMILESc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9,12H,8H2
InChIKeySLQYLYZDAGTVRH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.89
Rot. Bonds3

About N-(furan-3-ylmethyl)aniline

N-(furan-3-ylmethyl)aniline (PubChem CID 18938795) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)aniline
PubChem CID18938795
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-(furan-3-ylmethyl)aniline
SMILESc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9,12H,8H2
InChIKeySLQYLYZDAGTVRH-UHFFFAOYSA-N
XLogP2.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
CID 22486431
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
CID 163931246
CID 163931246
N-(furan-3-ylmethyl)-3-methylsulfinylaniline
CID 115744099
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765
N-(furan-3-ylmethyl)-2,6-dimethylaniline
CID 115749450
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)aniline?
The IUPAC name of N-(furan-3-ylmethyl)aniline (CID 18938795) is N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for N-(furan-3-ylmethyl)aniline?
The canonical SMILES for N-(furan-3-ylmethyl)aniline is c1ccc(NCc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)aniline?
The InChIKey is SLQYLYZDAGTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9,12H,8H2.
What are the key properties of N-(furan-3-ylmethyl)aniline?
N-(furan-3-ylmethyl)aniline has a molecular weight of 173.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 18938795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).