N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

C17H21F2NO — CID 65152876

IUPACN-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1c(C)oc(C)c1C
InChIInChI=1S/C17H21F2NO/c1-5-8-20-17(14-7-6-13(18)9-15(14)19)16-10(2)11(3)21-12(16)4/h6-7,9,17,20H,5,8H2,1-4H3
InChIKeyNWGLOUIPVWJPRA-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.57
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 65152876) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID65152876
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1c(C)oc(C)c1C
InChIInChI=1S/C17H21F2NO/c1-5-8-20-17(14-7-6-13(18)9-15(14)19)16-10(2)11(3)21-12(16)4/h6-7,9,17,20H,5,8H2,1-4H3
InChIKeyNWGLOUIPVWJPRA-UHFFFAOYSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 115852570
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(2,5-dimethylthiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152926
N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153418
N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 115827769
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152977
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (CID 65152876) is N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is NWGLOUIPVWJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-5-8-20-17(14-7-6-13(18)9-15(14)19)16-10(2)11(3)21-12(16)4/h6-7,9,17,20H,5,8H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65152876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).