N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C16H19F2NO2 — CID 114820154

IUPACN-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C16H19F2NO2/c1-4-5-19-16(11-6-10(2)21-9-11)15-13(17)7-12(20-3)8-14(15)18/h6-9,16,19H,4-5H2,1-3H3
InChIKeyYJCKQUKTRGNJOG-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.96
Rot. Bonds6

About N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 114820154) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID114820154
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C16H19F2NO2/c1-4-5-19-16(11-6-10(2)21-9-11)15-13(17)7-12(20-3)8-14(15)18/h6-9,16,19H,4-5H2,1-3H3
InChIKeyYJCKQUKTRGNJOG-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942
N-[(5-methylfuran-3-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 114820083
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
CID 114820388
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 114820154) is N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)c1c(F)cc(OC)cc1F.
What is the InChIKey of N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is YJCKQUKTRGNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-4-5-19-16(11-6-10(2)21-9-11)15-13(17)7-12(20-3)8-14(15)18/h6-9,16,19H,4-5H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114820154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).