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

C18H25NO3 — CID 119124464

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2ccc(C)o2)cc1OC
InChIInChI=1S/C18H25NO3/c1-13-6-8-15(22-13)11-19-12-18(2,3)14-7-9-16(20-4)17(10-14)21-5/h6-10,19H,11-12H2,1-5H3
InChIKeyFLGKYCBUNZHCLP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.67
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 119124464) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID119124464
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2ccc(C)o2)cc1OC
InChIInChI=1S/C18H25NO3/c1-13-6-8-15(22-13)11-19-12-18(2,3)14-7-9-16(20-4)17(10-14)21-5/h6-10,19H,11-12H2,1-5H3
InChIKeyFLGKYCBUNZHCLP-UHFFFAOYSA-N
XLogP3.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 119124464) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is COc1ccc(C(C)(C)CNCc2ccc(C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is FLGKYCBUNZHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-6-8-15(22-13)11-19-12-18(2,3)14-7-9-16(20-4)17(10-14)21-5/h6-10,19H,11-12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 303.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 119124464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).