1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine

C16H16FNO — CID 54910696

IUPAC1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H16FNO/c1-18-10-11-2-4-15(17)14(8-11)12-3-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyHVOLCSOFVAMQCE-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.15
Rot. Bonds3

About 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 54910696) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID54910696
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H16FNO/c1-18-10-11-2-4-15(17)14(8-11)12-3-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyHVOLCSOFVAMQCE-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 107289695
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-fluorobenzonitrile
CID 103756683
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine (CID 54910696) is 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is HVOLCSOFVAMQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-18-10-11-2-4-15(17)14(8-11)12-3-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 257.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 54910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).