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

C14H14F3NO — CID 66476989

IUPACN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCNCc1ccc(-c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C14H14F3NO/c1-9-3-4-10(14(15,16)17)7-12(9)13-6-5-11(19-13)8-18-2/h3-7,18H,8H2,1-2H3
InChIKeyQQQAFXMIDLAVCE-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.99
Rot. Bonds3

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

N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine (PubChem CID 66476989) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
PubChem CID66476989
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESCNCc1ccc(-c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C14H14F3NO/c1-9-3-4-10(14(15,16)17)7-12(9)13-6-5-11(19-13)8-18-2/h3-7,18H,8H2,1-2H3
InChIKeyQQQAFXMIDLAVCE-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624822
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 66476806
1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624832
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
N-methyl-1-[5-(2-methylnaphthalen-1-yl)furan-2-yl]methanamine
CID 106888987
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
CID 170889110
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
3-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17210670
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine (CID 66476989) is N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine is CNCc1ccc(-c2cc(C(F)(F)F)ccc2C)o1.
What is the InChIKey of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The InChIKey is QQQAFXMIDLAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-9-3-4-10(14(15,16)17)7-12(9)13-6-5-11(19-13)8-18-2/h3-7,18H,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine is sourced from PubChem (CID 66476989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).