(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C14H11ClFNOS — CID 103407460

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1csc(C(N)c2cc3cc(F)ccc3o2)c1Cl
InChIInChI=1S/C14H11ClFNOS/c1-7-6-19-14(12(7)15)13(17)11-5-8-4-9(16)2-3-10(8)18-11/h2-6,13H,17H2,1H3
InChIKeySDVQTCOVSXRICU-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.64
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 103407460) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID103407460
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1csc(C(N)c2cc3cc(F)ccc3o2)c1Cl
InChIInChI=1S/C14H11ClFNOS/c1-7-6-19-14(12(7)15)13(17)11-5-8-4-9(16)2-3-10(8)18-11/h2-6,13H,17H2,1H3
InChIKeySDVQTCOVSXRICU-UHFFFAOYSA-N
XLogP4.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045316
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 103407460) is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine is Cc1csc(C(N)c2cc3cc(F)ccc3o2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is SDVQTCOVSXRICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-7-6-19-14(12(7)15)13(17)11-5-8-4-9(16)2-3-10(8)18-11/h2-6,13H,17H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 295.77 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 103407460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).