1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine

C16H13Cl2NO — CID 114727608

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H13Cl2NO/c17-12-6-4-10(5-7-12)8-14(19)15-9-11-2-1-3-13(18)16(11)20-15/h1-7,9,14H,8,19H2
InChIKeyRITVUIMQWNMBJE-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.98
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine

1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine (PubChem CID 114727608) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
PubChem CID114727608
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H13Cl2NO/c17-12-6-4-10(5-7-12)8-14(19)15-9-11-2-1-3-13(18)16(11)20-15/h1-7,9,14H,8,19H2
InChIKeyRITVUIMQWNMBJE-UHFFFAOYSA-N
XLogP4.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine (CID 114727608) is 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is RITVUIMQWNMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-12-6-4-10(5-7-12)8-14(19)15-9-11-2-1-3-13(18)16(11)20-15/h1-7,9,14H,8,19H2.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine?
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 306.19 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 114727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).