(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

C17H16BrNO — CID 105045351

IUPAC(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc3cc(C)ccc3o2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-10-4-6-15-12(7-10)9-16(20-15)17(19)13-5-3-11(2)8-14(13)18/h3-9,17H,19H2,1-2H3
InChIKeyAUSSMEOQSIVHKF-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.86
Rot. Bonds2

About (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045351) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045351
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc3cc(C)ccc3o2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-10-4-6-15-12(7-10)9-16(20-15)17(19)13-5-3-11(2)8-14(13)18/h3-9,17H,19H2,1-2H3
InChIKeyAUSSMEOQSIVHKF-UHFFFAOYSA-N
XLogP4.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105045351) is (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc(C(N)c2cc3cc(C)ccc3o2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AUSSMEOQSIVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-10-4-6-15-12(7-10)9-16(20-15)17(19)13-5-3-11(2)8-14(13)18/h3-9,17H,19H2,1-2H3.
What are the key properties of (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 330.23 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).