N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine

C14H15Cl2NO — CID 65441182

IUPACN-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C1CC1
InChIInChI=1S/C14H15Cl2NO/c1-2-17-13(8-3-4-8)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,2-4H2,1H3
InChIKeyXIMWJBMXKCBKHA-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.80
Rot. Bonds4

About N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine

N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 65441182) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID65441182
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC NameN-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C1CC1
InChIInChI=1S/C14H15Cl2NO/c1-2-17-13(8-3-4-8)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,2-4H2,1H3
InChIKeyXIMWJBMXKCBKHA-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438322
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
N-[(7-chloro-1-benzofuran-2-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114729990
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine (CID 65441182) is N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1cc2ccc(Cl)c(Cl)c2o1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is XIMWJBMXKCBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-17-13(8-3-4-8)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,2-4H2,1H3.
What are the key properties of N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine?
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).