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

C16H16ClNO2 — CID 114730985

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)c1occc1C
InChIInChI=1S/C16H16ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-9,15,18H,3H2,1-2H3
InChIKeyNMRCEFIIALJYNK-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.69
Rot. Bonds4

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

N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 114730985) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID114730985
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)c1occc1C
InChIInChI=1S/C16H16ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-9,15,18H,3H2,1-2H3
InChIKeyNMRCEFIIALJYNK-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine with MolForge

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
[(5-fluoro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269568
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-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
1-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine (CID 114730985) is N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine is CCNC(c1cc2cc(Cl)ccc2o1)c1occc1C.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is NMRCEFIIALJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine?
N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 289.76 g/mol, XLogP of 4.69, 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)-(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114730985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).