(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine

C15H16ClNO2 — CID 104545305

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc3c2OCC3)c(C)o1
InChIInChI=1S/C15H16ClNO2/c1-8-5-12(9(2)19-8)14(17)13-7-11(16)6-10-3-4-18-15(10)13/h5-7,14H,3-4,17H2,1-2H3
InChIKeyZOTDSWZBDVBZLQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.53
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 104545305) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID104545305
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc3c2OCC3)c(C)o1
InChIInChI=1S/C15H16ClNO2/c1-8-5-12(9(2)19-8)14(17)13-7-11(16)6-10-3-4-18-15(10)13/h5-7,14H,3-4,17H2,1-2H3
InChIKeyZOTDSWZBDVBZLQ-UHFFFAOYSA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 104545659
(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
ethyl 5-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylpentanoate
CID 104546100
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 104545220
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 104545305) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2cc(Cl)cc3c2OCC3)c(C)o1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is ZOTDSWZBDVBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-8-5-12(9(2)19-8)14(17)13-7-11(16)6-10-3-4-18-15(10)13/h5-7,14H,3-4,17H2,1-2H3.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 104545305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).