2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine

C16H16FNO — CID 105053341

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc3c2OCC3)c(F)c1
InChIInChI=1S/C16H16FNO/c1-10-5-6-12(14(17)9-10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3
InChIKeyPHADPXLZICRPNX-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.12
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine

2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine (PubChem CID 105053341) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
PubChem CID105053341
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc3c2OCC3)c(F)c1
InChIInChI=1S/C16H16FNO/c1-10-5-6-12(14(17)9-10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3
InChIKeyPHADPXLZICRPNX-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189386
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 114745887
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine (CID 105053341) is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cccc3c2OCC3)c(F)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine?
The InChIKey is PHADPXLZICRPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-5-6-12(14(17)9-10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 105053341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).