N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine

C17H18ClNO2 — CID 105045861

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)c1cc(C)oc1C
InChIInChI=1S/C17H18ClNO2/c1-4-19-17(14-7-10(2)20-11(14)3)16-9-12-8-13(18)5-6-15(12)21-16/h5-9,17,19H,4H2,1-3H3
InChIKeySLHQKXMRRWHFIC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.99
Rot. Bonds4

About N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine

N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine (PubChem CID 105045861) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
PubChem CID105045861
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)c1cc(C)oc1C
InChIInChI=1S/C17H18ClNO2/c1-4-19-17(14-7-10(2)20-11(14)3)16-9-12-8-13(18)5-6-15(12)21-16/h5-9,17,19H,4H2,1-3H3
InChIKeySLHQKXMRRWHFIC-UHFFFAOYSA-N
XLogP4.99
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 114730985
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[(5-chloro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105045870
N-[(5-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105185621
N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
CID 114727710
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine (CID 105045861) is N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine is CCNC(c1cc2cc(Cl)ccc2o1)c1cc(C)oc1C.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is SLHQKXMRRWHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-19-17(14-7-10(2)20-11(14)3)16-9-12-8-13(18)5-6-15(12)21-16/h5-9,17,19H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 303.79 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 105045861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).