3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine

C16H21NO3 — CID 83461576

IUPAC3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(CCCNCc2ccco2)cc1OC
InChIInChI=1S/C16H21NO3/c1-18-15-8-7-13(11-16(15)19-2)5-3-9-17-12-14-6-4-10-20-14/h4,6-8,10-11,17H,3,5,9,12H2,1-2H3
InChIKeyDKSHGFYTGBNMOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine

3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 83461576) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID83461576
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(CCCNCc2ccco2)cc1OC
InChIInChI=1S/C16H21NO3/c1-18-15-8-7-13(11-16(15)19-2)5-3-9-17-12-14-6-4-10-20-14/h4,6-8,10-11,17H,3,5,9,12H2,1-2H3
InChIKeyDKSHGFYTGBNMOW-UHFFFAOYSA-N
XLogP3.02
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
1-[3-(3,4-dimethoxyphenyl)propyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937597
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine (CID 83461576) is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine is COc1ccc(CCCNCc2ccco2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is DKSHGFYTGBNMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-18-15-8-7-13(11-16(15)19-2)5-3-9-17-12-14-6-4-10-20-14/h4,6-8,10-11,17H,3,5,9,12H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83461576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).