1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine

C18H18ClNO — CID 65440354

IUPAC1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2cc(-c3ccccc3)cc(Cl)c2o1
InChIInChI=1S/C18H18ClNO/c1-3-20-12(2)17-11-15-9-14(10-16(19)18(15)21-17)13-7-5-4-6-8-13/h4-12,20H,3H2,1-2H3
InChIKeyGOCHPEVSVPHRDC-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.42
Rot. Bonds4

About 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine

1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 65440354) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID65440354
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2cc(-c3ccccc3)cc(Cl)c2o1
InChIInChI=1S/C18H18ClNO/c1-3-20-12(2)17-11-15-9-14(10-16(19)18(15)21-17)13-7-5-4-6-8-13/h4-12,20H,3H2,1-2H3
InChIKeyGOCHPEVSVPHRDC-UHFFFAOYSA-N
XLogP5.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.42
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-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439591
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran
CID 144770610
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053
N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440163
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine (CID 65440354) is 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1cc2cc(-c3ccccc3)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is GOCHPEVSVPHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20-12(2)17-11-15-9-14(10-16(19)18(15)21-17)13-7-5-4-6-8-13/h4-12,20H,3H2,1-2H3.
What are the key properties of 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine?
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 299.80 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65440354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).