N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

C16H16ClNO2 — CID 106888206

IUPACN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H16ClNO2/c1-10(2)18-9-15-12(6-7-19-15)14-8-11-4-3-5-13(17)16(11)20-14/h3-8,10,18H,9H2,1-2H3
InChIKeyGNCYWWSDTRFXGT-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.84
Rot. Bonds4

About N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888206) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888206
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H16ClNO2/c1-10(2)18-9-15-12(6-7-19-15)14-8-11-4-3-5-13(17)16(11)20-14/h3-8,10,18H,9H2,1-2H3
InChIKeyGNCYWWSDTRFXGT-UHFFFAOYSA-N
XLogP4.84
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (CID 106888206) is N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1cc2cccc(Cl)c2o1.
What is the InChIKey of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is GNCYWWSDTRFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10(2)18-9-15-12(6-7-19-15)14-8-11-4-3-5-13(17)16(11)20-14/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 289.76 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).