(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine

C17H15Cl2NO — CID 43149767

IUPAC(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3cc(Cl)cc(Cl)c3o2)cc1C
InChIInChI=1S/C17H15Cl2NO/c1-9-3-4-11(5-10(9)2)16(20)15-7-12-6-13(18)8-14(19)17(12)21-15/h3-8,16H,20H2,1-2H3
InChIKeyBXCVDACAUBAYNY-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.40
Rot. Bonds2

About (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine

(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine (PubChem CID 43149767) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
PubChem CID43149767
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3cc(Cl)cc(Cl)c3o2)cc1C
InChIInChI=1S/C17H15Cl2NO/c1-9-3-4-11(5-10(9)2)16(20)15-7-12-6-13(18)8-14(19)17(12)21-15/h3-8,16H,20H2,1-2H3
InChIKeyBXCVDACAUBAYNY-UHFFFAOYSA-N
XLogP5.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 43149764
(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
CID 43149779
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
1-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine (CID 43149767) is (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cc3cc(Cl)cc(Cl)c3o2)cc1C.
What is the InChIKey of (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is BXCVDACAUBAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-9-3-4-11(5-10(9)2)16(20)15-7-12-6-13(18)8-14(19)17(12)21-15/h3-8,16H,20H2,1-2H3.
What are the key properties of (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine?
(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 320.22 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43149767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).