N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine

C16H21NO2 — CID 105035753

IUPACN-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1coc(C)c1
InChIInChI=1S/C16H21NO2/c1-4-9-18-15-8-6-5-7-14(15)16(17-3)13-10-12(2)19-11-13/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyLXEIBSULJKKUHD-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.69
Rot. Bonds6

About N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine

N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine (PubChem CID 105035753) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
PubChem CID105035753
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1coc(C)c1
InChIInChI=1S/C16H21NO2/c1-4-9-18-15-8-6-5-7-14(15)16(17-3)13-10-12(2)19-11-13/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyLXEIBSULJKKUHD-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
[[2-(2-methoxyethoxy)phenyl]-(5-methylfuran-3-yl)methyl]hydrazine
CID 105334159
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820407
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine (CID 105035753) is N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine?
The InChIKey is LXEIBSULJKKUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-9-18-15-8-6-5-7-14(15)16(17-3)13-10-12(2)19-11-13/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine?
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).