N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine

C13H12F3NO — CID 106886792

IUPACN-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCNCc1occc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO/c1-17-8-12-11(6-7-18-12)9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyBANKUKXOKIUTCF-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.68
Rot. Bonds3

About N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine

N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine (PubChem CID 106886792) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
PubChem CID106886792
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCNCc1occc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO/c1-17-8-12-11(6-7-18-12)9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyBANKUKXOKIUTCF-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
N-methyl-1-[3-[2-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106887060
1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239756
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106888982
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
CID 102723192
2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105495770
1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
CID 106887486

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine (CID 106886792) is N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine is CNCc1occc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The InChIKey is BANKUKXOKIUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-17-8-12-11(6-7-18-12)9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine is sourced from PubChem (CID 106886792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).