1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine

C11H12FNO — CID 117170265

IUPAC1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1coc2cccc(F)c12
InChIInChI=1S/C11H12FNO/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6H2,1-2H3
InChIKeyNWXIFVCAWBXJAP-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine

1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine (PubChem CID 117170265) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
PubChem CID117170265
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1coc2cccc(F)c12
InChIInChI=1S/C11H12FNO/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6H2,1-2H3
InChIKeyNWXIFVCAWBXJAP-UHFFFAOYSA-N
XLogP2.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dimethylamino)methyl]-1-benzofuran-4-amine
CID 117170261
4-fluoro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117170459
1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194797
3-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119182
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
(4-fluoro-1-benzofuran-3-yl)methyl formate
CID 91150142
1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117177542
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine
CID 122228827
3-[(dimethylamino)methyl]-1-benzofuran-5-amine
CID 84662693

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine (CID 117170265) is 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1coc2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The InChIKey is NWXIFVCAWBXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine has a molecular weight of 193.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117170265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).