1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine

C14H15F2NO2 — CID 119123469

IUPAC1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
SMILESFC(F)COc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C14H15F2NO2/c15-14(16)10-19-12-4-1-3-11(7-12)8-17-9-13-5-2-6-18-13/h1-7,14,17H,8-10H2
InChIKeyKLIDMHVVATWWNF-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.21
Rot. Bonds7

About 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine

1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 119123469) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
PubChem CID119123469
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
SMILESFC(F)COc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C14H15F2NO2/c15-14(16)10-19-12-4-1-3-11(7-12)8-17-9-13-5-2-6-18-13/h1-7,14,17H,8-10H2
InChIKeyKLIDMHVVATWWNF-UHFFFAOYSA-N
XLogP3.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 67855263
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine (CID 119123469) is 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine is FC(F)COc1cccc(CNCc2ccco2)c1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is KLIDMHVVATWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-14(16)10-19-12-4-1-3-11(7-12)8-17-9-13-5-2-6-18-13/h1-7,14,17H,8-10H2.
What are the key properties of 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 267.28 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 119123469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).