2,6-dichloro-N-(furan-3-ylmethyl)aniline

C11H9Cl2NO — CID 65468765

IUPAC2,6-dichloro-N-(furan-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1ccoc1
InChIInChI=1S/C11H9Cl2NO/c12-9-2-1-3-10(13)11(9)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyOICPOZBBOLWYHC-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.20
Rot. Bonds3

About 2,6-dichloro-N-(furan-3-ylmethyl)aniline

2,6-dichloro-N-(furan-3-ylmethyl)aniline (PubChem CID 65468765) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(furan-3-ylmethyl)aniline
PubChem CID65468765
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name2,6-dichloro-N-(furan-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1ccoc1
InChIInChI=1S/C11H9Cl2NO/c12-9-2-1-3-10(13)11(9)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyOICPOZBBOLWYHC-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
N-(furan-3-ylmethyl)-2,6-dimethylaniline
CID 115749450
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437879
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
4-chloro-1-(furan-3-ylmethyl)indole
CID 116623869
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(furan-3-ylmethyl)aniline (CID 65468765) is 2,6-dichloro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(furan-3-ylmethyl)aniline is Clc1cccc(Cl)c1NCc1ccoc1.
What is the InChIKey of 2,6-dichloro-N-(furan-3-ylmethyl)aniline?
The InChIKey is OICPOZBBOLWYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-9-2-1-3-10(13)11(9)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 2,6-dichloro-N-(furan-3-ylmethyl)aniline?
2,6-dichloro-N-(furan-3-ylmethyl)aniline has a molecular weight of 242.11 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 65468765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).