(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine

C13H13ClFNO2 — CID 113461711

IUPAC(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
SMILESCOCc1ccc(C(N)c2cccc(F)c2Cl)o1
InChIInChI=1S/C13H13ClFNO2/c1-17-7-8-5-6-11(18-8)13(16)9-3-2-4-10(15)12(9)14/h2-6,13H,7,16H2,1H3
InChIKeyBEJHFWCVMYOFIX-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.27
Rot. Bonds4

About (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine

(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine (PubChem CID 113461711) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
PubChem CID113461711
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
SMILESCOCc1ccc(C(N)c2cccc(F)c2Cl)o1
InChIInChI=1S/C13H13ClFNO2/c1-17-7-8-5-6-11(18-8)13(16)9-3-2-4-10(15)12(9)14/h2-6,13H,7,16H2,1H3
InChIKeyBEJHFWCVMYOFIX-UHFFFAOYSA-N
XLogP3.27
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
CID 114030695
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107096640
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine (CID 113461711) is (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine is COCc1ccc(C(N)c2cccc(F)c2Cl)o1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The InChIKey is BEJHFWCVMYOFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c1-17-7-8-5-6-11(18-8)13(16)9-3-2-4-10(15)12(9)14/h2-6,13H,7,16H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine has a molecular weight of 269.70 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 113461711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).