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

C15H14ClNO2 — CID 106888210

IUPACN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H14ClNO2/c1-2-17-9-14-11(6-7-18-14)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,17H,2,9H2,1H3
InChIKeyYXONIGHUSQNLIS-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.46
Rot. Bonds4

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

N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106888210) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
PubChem CID106888210
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H14ClNO2/c1-2-17-9-14-11(6-7-18-14)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,17H,2,9H2,1H3
InChIKeyYXONIGHUSQNLIS-UHFFFAOYSA-N
XLogP4.46
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
N-[[3-(furan-2-yl)furan-2-yl]methyl]ethanamine
CID 106887249
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
CID 114732125
6-(7-chloro-1-benzofuran-2-yl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106521975

Frequently Asked Questions

What is the IUPAC name of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine (CID 106888210) is N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1cc2cccc(Cl)c2o1.
What is the InChIKey of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is YXONIGHUSQNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-17-9-14-11(6-7-18-14)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine?
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 275.74 g/mol, XLogP of 4.46, 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]ethanamine is sourced from PubChem (CID 106888210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).