(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine

C15H10Cl3NO — CID 105048440

IUPAC(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-9-4-2-5-10(17)13(9)14(19)12-7-8-3-1-6-11(18)15(8)20-12/h1-7,14H,19H2
InChIKeyJJGANJCPOVNWTQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.44
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine (PubChem CID 105048440) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
PubChem CID105048440
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-9-4-2-5-10(17)13(9)14(19)12-7-8-3-1-6-11(18)15(8)20-12/h1-7,14H,19H2
InChIKeyJJGANJCPOVNWTQ-UHFFFAOYSA-N
XLogP5.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
CID 114730085
(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048658
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine (CID 105048440) is (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine is NC(c1cc2cccc(Cl)c2o1)c1c(Cl)cccc1Cl.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine?
The InChIKey is JJGANJCPOVNWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-9-4-2-5-10(17)13(9)14(19)12-7-8-3-1-6-11(18)15(8)20-12/h1-7,14H,19H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine has a molecular weight of 326.61 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 105048440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).