1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine

C11H12FNO — CID 117177542

IUPAC1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1coc2cc(F)ccc12
InChIInChI=1S/C11H12FNO/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6H2,1-2H3
InChIKeyNRXYEMYHYQBKOW-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.63
Rot. Bonds2

About 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine

1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine (PubChem CID 117177542) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
PubChem CID117177542
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1coc2cc(F)ccc12
InChIInChI=1S/C11H12FNO/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6H2,1-2H3
InChIKeyNRXYEMYHYQBKOW-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

6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709
3-[(dimethylamino)methyl]-1-benzofuran-5-amine
CID 84662693
(6-fluoro-1-benzofuran-3-yl)methyl formate
CID 91089141
1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
6-fluoro-1-benzofuran-3-carbaldehyde
CID 82414998
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine (CID 117177542) is 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1coc2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
The InChIKey is NRXYEMYHYQBKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine?
1-(6-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-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117177542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).