(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C16H13BrClNO — CID 107946844

IUPAC(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cc(Cl)cc(Br)c3)oc12
InChIInChI=1S/C16H13BrClNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)11-5-12(17)8-13(18)6-11/h2-8,15H,19H2,1H3
InChIKeyLWYYNYMRRFOMCO-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.21
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 107946844) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID107946844
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cc(Cl)cc(Br)c3)oc12
InChIInChI=1S/C16H13BrClNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)11-5-12(17)8-13(18)6-11/h2-8,15H,19H2,1H3
InChIKeyLWYYNYMRRFOMCO-UHFFFAOYSA-N
XLogP5.21
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
CID 115962603
(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
CID 114730085
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine
CID 115962595

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 107946844) is (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3cc(Cl)cc(Br)c3)oc12.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is LWYYNYMRRFOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)11-5-12(17)8-13(18)6-11/h2-8,15H,19H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 350.64 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107946844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).