N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

C14H14F3NO2 — CID 62441293

IUPACN-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H14F3NO2/c1-18-8-12-6-7-13(20-12)9-19-11-4-2-10(3-5-11)14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyYWJRGJCCYIZMFM-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (PubChem CID 62441293) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
PubChem CID62441293
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC NameN-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H14F3NO2/c1-18-8-12-6-7-13(20-12)9-19-11-4-2-10(3-5-11)14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyYWJRGJCCYIZMFM-UHFFFAOYSA-N
XLogP3.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
N-methyl-1-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanamine
CID 62460500
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 81326085
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
CID 66274886
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-2-carboxylic acid
CID 117192357
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (CID 62441293) is N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is CNCc1ccc(COc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The InChIKey is YWJRGJCCYIZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-18-8-12-6-7-13(20-12)9-19-11-4-2-10(3-5-11)14(15,16)17/h2-7,18H,8-9H2,1H3.
What are the key properties of N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62441293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).