N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H18F3NO — CID 102755153

IUPACN-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1C)c1ccoc1C
InChIInChI=1S/C16H18F3NO/c1-4-20-15(14-7-8-21-11(14)3)13-6-5-12(9-10(13)2)16(17,18)19/h5-9,15,20H,4H2,1-3H3
InChIKeyMYHPAJFWKGQQQJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.61
Rot. Bonds4

About N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 102755153) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID102755153
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1C)c1ccoc1C
InChIInChI=1S/C16H18F3NO/c1-4-20-15(14-7-8-21-11(14)3)13-6-5-12(9-10(13)2)16(17,18)19/h5-9,15,20H,4H2,1-3H3
InChIKeyMYHPAJFWKGQQQJ-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 102755153) is N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1C)c1ccoc1C.
What is the InChIKey of N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is MYHPAJFWKGQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-4-20-15(14-7-8-21-11(14)3)13-6-5-12(9-10(13)2)16(17,18)19/h5-9,15,20H,4H2,1-3H3.
What are the key properties of N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).