(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine

C14H12ClNO2 — CID 106693197

IUPAC(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3ccoc3Cl)oc12
InChIInChI=1S/C14H12ClNO2/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)10-5-6-17-14(10)15/h2-7,12H,16H2,1H3
InChIKeyJMZYRDBFOIXNCC-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.04
Rot. Bonds2

About (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine

(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 106693197) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID106693197
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3ccoc3Cl)oc12
InChIInChI=1S/C14H12ClNO2/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)10-5-6-17-14(10)15/h2-7,12H,16H2,1H3
InChIKeyJMZYRDBFOIXNCC-UHFFFAOYSA-N
XLogP4.04
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 106693197) is (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3ccoc3Cl)oc12.
What is the InChIKey of (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is JMZYRDBFOIXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)10-5-6-17-14(10)15/h2-7,12H,16H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 261.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 106693197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).