N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine

C15H19NO — CID 114821279

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1coc(C)c1
InChIInChI=1S/C15H19NO/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3
InChIKeyKJUVPKXKKPMKEH-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.40
Rot. Bonds4

About N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 114821279) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
PubChem CID114821279
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1coc(C)c1
InChIInChI=1S/C15H19NO/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3
InChIKeyKJUVPKXKKPMKEH-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
2-(2,4-dichlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115839913
1-(1,3-benzodioxol-5-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064188
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine (CID 114821279) is N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is KJUVPKXKKPMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-4-6-13(7-5-11)9-15(16-3)14-8-12(2)17-10-14/h4-8,10,15-16H,9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114821279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).