(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine

C17H18BrNO — CID 107293441

IUPAC(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)COc2ccc(C(N)c3ccccc3Br)cc21
InChIInChI=1S/C17H18BrNO/c1-17(2)10-20-15-8-7-11(9-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-9,16H,10,19H2,1-2H3
InChIKeyJRYLWFXAFMYPKY-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.17
Rot. Bonds2

About (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine

(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine (PubChem CID 107293441) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
PubChem CID107293441
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)COc2ccc(C(N)c3ccccc3Br)cc21
InChIInChI=1S/C17H18BrNO/c1-17(2)10-20-15-8-7-11(9-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-9,16H,10,19H2,1-2H3
InChIKeyJRYLWFXAFMYPKY-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-iodophenyl)methanamine
CID 107293573
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
CID 107294004
(2-bromo-3-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294068
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
CID 107293388
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine (CID 107293441) is (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine is CC1(C)COc2ccc(C(N)c3ccccc3Br)cc21.
What is the InChIKey of (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The InChIKey is JRYLWFXAFMYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-17(2)10-20-15-8-7-11(9-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-9,16H,10,19H2,1-2H3.
What are the key properties of (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine has a molecular weight of 332.24 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 107293441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).