1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

C16H16BrNO — CID 43481050

IUPAC1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)C1Cc2ccccc2O1
InChIInChI=1S/C16H16BrNO/c1-18-16(11-6-8-13(17)9-7-11)15-10-12-4-2-3-5-14(12)19-15/h2-9,15-16,18H,10H2,1H3
InChIKeyNRRFOORMJSMQKB-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 43481050) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID43481050
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)C1Cc2ccccc2O1
InChIInChI=1S/C16H16BrNO/c1-18-16(11-6-8-13(17)9-7-11)15-10-12-4-2-3-5-14(12)19-15/h2-9,15-16,18H,10H2,1H3
InChIKeyNRRFOORMJSMQKB-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652111
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483195
N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516055
2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61084687
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 106601575
2-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (CID 43481050) is 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is NRRFOORMJSMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18-16(11-6-8-13(17)9-7-11)15-10-12-4-2-3-5-14(12)19-15/h2-9,15-16,18H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 318.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43481050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).