N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

C16H18F3NO — CID 115850651

IUPACN-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1
InChIInChI=1S/C16H18F3NO/c1-3-7-20-15(13-8-11(2)21-10-13)12-5-4-6-14(9-12)16(17,18)19/h4-6,8-10,15,20H,3,7H2,1-2H3
InChIKeyMZVRVELSXVDRGI-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.70
Rot. Bonds5

About N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 115850651) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID115850651
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1
InChIInChI=1S/C16H18F3NO/c1-3-7-20-15(13-8-11(2)21-10-13)12-5-4-6-14(9-12)16(17,18)19/h4-6,8-10,15,20H,3,7H2,1-2H3
InChIKeyMZVRVELSXVDRGI-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[thiadiazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141421
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
N-[(5-methylfuran-3-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 114820083
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 115850651) is N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1cccc(C(F)(F)F)c1)c1coc(C)c1.
What is the InChIKey of N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is MZVRVELSXVDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-7-20-15(13-8-11(2)21-10-13)12-5-4-6-14(9-12)16(17,18)19/h4-6,8-10,15,20H,3,7H2,1-2H3.
What are the key properties of N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115850651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).