(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C16H14BrNO — CID 112614663

IUPAC(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cccc(Br)c3)oc12
InChIInChI=1S/C16H14BrNO/c1-10-4-2-6-12-9-14(19-16(10)12)15(18)11-5-3-7-13(17)8-11/h2-9,15H,18H2,1H3
InChIKeyMMSRMVNXMMWUKN-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.55
Rot. Bonds2

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

(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 112614663) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID112614663
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cccc(Br)c3)oc12
InChIInChI=1S/C16H14BrNO/c1-10-4-2-6-12-9-14(19-16(10)12)15(18)11-5-3-7-13(17)8-11/h2-9,15H,18H2,1H3
InChIKeyMMSRMVNXMMWUKN-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 112614663) is (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3cccc(Br)c3)oc12.
What is the InChIKey of (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is MMSRMVNXMMWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-10-4-2-6-12-9-14(19-16(10)12)15(18)11-5-3-7-13(17)8-11/h2-9,15H,18H2,1H3.
What are the key properties of (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 316.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 112614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).