N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C16H20FNO — CID 65299395

IUPACN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1
InChIInChI=1S/C16H20FNO/c1-5-18-16(14-7-6-12(4)19-14)13-8-10(2)15(17)11(3)9-13/h6-9,16,18H,5H2,1-4H3
InChIKeyFDVABESDMGCRPS-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 65299395) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID65299395
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1
InChIInChI=1S/C16H20FNO/c1-5-18-16(14-7-6-12(4)19-14)13-8-10(2)15(17)11(3)9-13/h6-9,16,18H,5H2,1-4H3
InChIKeyFDVABESDMGCRPS-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 116628607
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 81454466

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 65299395) is N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is FDVABESDMGCRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-5-18-16(14-7-6-12(4)19-14)13-8-10(2)15(17)11(3)9-13/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).