1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

C14H17Cl2NO — CID 65440192

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C
InChIInChI=1S/C14H17Cl2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3
InChIKeyFQQKMXOLWALHQZ-UHFFFAOYSA-N
MW286.20 g/mol
LogP5.05
Rot. Bonds4

About 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 65440192) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID65440192
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C
InChIInChI=1S/C14H17Cl2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3
InChIKeyFQQKMXOLWALHQZ-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 65440192) is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is FQQKMXOLWALHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-4-17-13(8(2)3)11-7-9-5-6-10(15)12(16)14(9)18-11/h5-8,13,17H,4H2,1-3H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 286.20 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 65440192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).