1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine

C18H18ClNO — CID 114732213

IUPAC1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-20-12(2)15-9-8-14(10-16(15)19)18-11-13-6-4-5-7-17(13)21-18/h4-12,20H,3H2,1-2H3
InChIKeyQPNWWNKNCYZDHA-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.42
Rot. Bonds4

About 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine

1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine (PubChem CID 114732213) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
PubChem CID114732213
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-20-12(2)15-9-8-14(10-16(15)19)18-11-13-6-4-5-7-17(13)21-18/h4-12,20H,3H2,1-2H3
InChIKeyQPNWWNKNCYZDHA-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

Analyze 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
CID 114732182
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
CID 114732147
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732238
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732235
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine (CID 114732213) is 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc3ccccc3o2)cc1Cl.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine?
The InChIKey is QPNWWNKNCYZDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20-12(2)15-9-8-14(10-16(15)19)18-11-13-6-4-5-7-17(13)21-18/h4-12,20H,3H2,1-2H3.
What are the key properties of 1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine?
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-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-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine is sourced from PubChem (CID 114732213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).