[2-chloro-6-(furan-2-yl)phenyl]methanamine

C11H10ClNO — CID 174613355

IUPAC[2-chloro-6-(furan-2-yl)phenyl]methanamine
SMILESNCc1c(Cl)cccc1-c1ccco1
InChIInChI=1S/C11H10ClNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H,7,13H2
InChIKeyIKTPMRHPYOYPTF-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.06
Rot. Bonds2

About [2-chloro-6-(furan-2-yl)phenyl]methanamine

[2-chloro-6-(furan-2-yl)phenyl]methanamine (PubChem CID 174613355) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is [2-chloro-6-(furan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(furan-2-yl)phenyl]methanamine
PubChem CID174613355
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name[2-chloro-6-(furan-2-yl)phenyl]methanamine
SMILESNCc1c(Cl)cccc1-c1ccco1
InChIInChI=1S/C11H10ClNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H,7,13H2
InChIKeyIKTPMRHPYOYPTF-UHFFFAOYSA-N
XLogP3.06
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(furan-2-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(furan-2-yl)phenyl]methanamine (CID 174613355) is [2-chloro-6-(furan-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(furan-2-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(furan-2-yl)phenyl]methanamine is NCc1c(Cl)cccc1-c1ccco1.
What is the InChIKey of [2-chloro-6-(furan-2-yl)phenyl]methanamine?
The InChIKey is IKTPMRHPYOYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H,7,13H2.
What are the key properties of [2-chloro-6-(furan-2-yl)phenyl]methanamine?
[2-chloro-6-(furan-2-yl)phenyl]methanamine has a molecular weight of 207.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(furan-2-yl)phenyl]methanamine is sourced from PubChem (CID 174613355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).