2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline

C14H17FN2O — CID 84753814

IUPAC2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cc(CNCc2ccco2)ccc1F
InChIInChI=1S/C14H17FN2O/c1-17(2)14-8-11(5-6-13(14)15)9-16-10-12-4-3-7-18-12/h3-8,16H,9-10H2,1-2H3
InChIKeyZWYJCHVJZJZGFE-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.77
Rot. Bonds5

About 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline

2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline (PubChem CID 84753814) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
PubChem CID84753814
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cc(CNCc2ccco2)ccc1F
InChIInChI=1S/C14H17FN2O/c1-17(2)14-8-11(5-6-13(14)15)9-16-10-12-4-3-7-18-12/h3-8,16H,9-10H2,1-2H3
InChIKeyZWYJCHVJZJZGFE-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
CID 107456817
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 84748130
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222583
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937651

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline (CID 84753814) is 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline is CN(C)c1cc(CNCc2ccco2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is ZWYJCHVJZJZGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(2)14-8-11(5-6-13(14)15)9-16-10-12-4-3-7-18-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 248.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 84753814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).