(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine

C14H14F3NO — CID 135262978

IUPAC(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12/h3-7,13H,18H2,1-2H3
InChIKeyDHMOVKNBMPROOY-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.96
Rot. Bonds2

About (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine

(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 135262978) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
PubChem CID135262978
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12/h3-7,13H,18H2,1-2H3
InChIKeyDHMOVKNBMPROOY-UHFFFAOYSA-N
XLogP3.96
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 135263337
(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
CID 135263451
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 135263197
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine (CID 135262978) is (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine is Cc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1.
What is the InChIKey of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DHMOVKNBMPROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12/h3-7,13H,18H2,1-2H3.
What are the key properties of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 135262978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).