N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine

C16H21NO2 — CID 115853275

IUPACN-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2coc(C)c2)cc1
InChIInChI=1S/C16H21NO2/c1-4-9-18-15-7-5-13(6-8-15)16(17-3)14-10-12(2)19-11-14/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyYAEQCOJLDBWKHP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.69
Rot. Bonds6

About N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine

N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine (PubChem CID 115853275) 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-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
PubChem CID115853275
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2coc(C)c2)cc1
InChIInChI=1S/C16H21NO2/c1-4-9-18-15-7-5-13(6-8-15)16(17-3)14-10-12(2)19-11-14/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyYAEQCOJLDBWKHP-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

N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144184
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820407

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine (CID 115853275) is N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2coc(C)c2)cc1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine?
The InChIKey is YAEQCOJLDBWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-9-18-15-7-5-13(6-8-15)16(17-3)14-10-12(2)19-11-14/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine?
N-methyl-1-(5-methylfuran-3-yl)-1-(4-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-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).