[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine

C13H12F3NO — CID 121237669

IUPAC[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1CN
InChIInChI=1S/C13H12F3NO/c1-8-10(7-17)6-12(18-8)9-2-4-11(5-3-9)13(14,15)16/h2-6H,7,17H2,1H3
InChIKeyYPYNKTNKZCIKGQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.73
Rot. Bonds2

About [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine

[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine (PubChem CID 121237669) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
PubChem CID121237669
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1CN
InChIInChI=1S/C13H12F3NO/c1-8-10(7-17)6-12(18-8)9-2-4-11(5-3-9)13(14,15)16/h2-6H,7,17H2,1H3
InChIKeyYPYNKTNKZCIKGQ-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenyl]acetic acid
CID 23074326
2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
CID 70888488
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258305
2-methyl-2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenoxy]propanoic acid
CID 23074271
3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
CID 102053804
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
[2-methyl-5-(4-methylphenyl)furan-3-yl]methanol
CID 23074335
3-[2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propanoic acid
CID 68833126
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine (CID 121237669) is [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine is Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CN.
What is the InChIKey of [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine?
The InChIKey is YPYNKTNKZCIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-8-10(7-17)6-12(18-8)9-2-4-11(5-3-9)13(14,15)16/h2-6H,7,17H2,1H3.
What are the key properties of [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine?
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine is sourced from PubChem (CID 121237669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).