(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine

C12H11ClFNO — CID 106691945

IUPAC(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc(Cl)o1
InChIInChI=1S/C12H11ClFNO/c1-7-6-8(14)2-3-9(7)12(15)10-4-5-11(13)16-10/h2-6,12H,15H2,1H3
InChIKeyCNGJSTGZGNZLBV-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.43
Rot. Bonds2

About (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine

(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 106691945) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID106691945
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc(Cl)o1
InChIInChI=1S/C12H11ClFNO/c1-7-6-8(14)2-3-9(7)12(15)10-4-5-11(13)16-10/h2-6,12H,15H2,1H3
InChIKeyCNGJSTGZGNZLBV-UHFFFAOYSA-N
XLogP3.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 106691945) is (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is CNGJSTGZGNZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-7-6-8(14)2-3-9(7)12(15)10-4-5-11(13)16-10/h2-6,12H,15H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 239.68 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 106691945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).