1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C15H19NO3 — CID 115651246

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2occc2C)cc1OC
InChIInChI=1S/C15H19NO3/c1-11-6-7-19-15(11)10-16-9-12-4-5-13(17-2)14(8-12)18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyBRNBNRDKGXPFQS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.90
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 115651246) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID115651246
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2occc2C)cc1OC
InChIInChI=1S/C15H19NO3/c1-11-6-7-19-15(11)10-16-9-12-4-5-13(17-2)14(8-12)18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyBRNBNRDKGXPFQS-UHFFFAOYSA-N
XLogP2.90
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651182
CID 11303039
CID 11303039
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 83232246
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 115651246) is 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is COc1ccc(CNCc2occc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is BRNBNRDKGXPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-7-19-15(11)10-16-9-12-4-5-13(17-2)14(8-12)18-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115651246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).