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

C18H24FNO — CID 115852570

IUPACN-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1c(C)oc(C)c1C
InChIInChI=1S/C18H24FNO/c1-6-9-20-18(16-8-7-15(19)10-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,18,20H,6,9H2,1-5H3
InChIKeyLBUOKUYENUBUMD-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.74
Rot. Bonds5

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

N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 115852570) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID115852570
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1c(C)oc(C)c1C
InChIInChI=1S/C18H24FNO/c1-6-9-20-18(16-8-7-15(19)10-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,18,20H,6,9H2,1-5H3
InChIKeyLBUOKUYENUBUMD-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153418
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2,5-dimethylthiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152926
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (CID 115852570) is N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1C)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is LBUOKUYENUBUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-6-9-20-18(16-8-7-15(19)10-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,18,20H,6,9H2,1-5H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115852570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).