[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine

C13H14ClNO — CID 106889012

IUPAC[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
SMILESCc1cc(Cl)c(-c2ccoc2CN)cc1C
InChIInChI=1S/C13H14ClNO/c1-8-5-11(12(14)6-9(8)2)10-3-4-16-13(10)7-15/h3-6H,7,15H2,1-2H3
InChIKeyDBYWWJMHKRAINT-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.68
Rot. Bonds2

About [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine

[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine (PubChem CID 106889012) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
PubChem CID106889012
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
SMILESCc1cc(Cl)c(-c2ccoc2CN)cc1C
InChIInChI=1S/C13H14ClNO/c1-8-5-11(12(14)6-9(8)2)10-3-4-16-13(10)7-15/h3-6H,7,15H2,1-2H3
InChIKeyDBYWWJMHKRAINT-UHFFFAOYSA-N
XLogP3.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine?
The IUPAC name of [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine (CID 106889012) is [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine is Cc1cc(Cl)c(-c2ccoc2CN)cc1C.
What is the InChIKey of [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine?
The InChIKey is DBYWWJMHKRAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8-5-11(12(14)6-9(8)2)10-3-4-16-13(10)7-15/h3-6H,7,15H2,1-2H3.
What are the key properties of [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine?
[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine has a molecular weight of 235.71 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106889012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).