(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C16H13Cl2NO — CID 105045662

IUPAC(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cccc(Cl)c3Cl)oc12
InChIInChI=1S/C16H13Cl2NO/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8,15H,19H2,1H3
InChIKeyNECUNYGQUFVVKM-UHFFFAOYSA-N
MW306.19 g/mol
LogP5.10
Rot. Bonds2

About (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045662) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045662
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cccc(Cl)c3Cl)oc12
InChIInChI=1S/C16H13Cl2NO/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8,15H,19H2,1H3
InChIKeyNECUNYGQUFVVKM-UHFFFAOYSA-N
XLogP5.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105045662) is (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3cccc(Cl)c3Cl)oc12.
What is the InChIKey of (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is NECUNYGQUFVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8,15H,19H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 306.19 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).