N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine

C16H21NO3 — CID 29225923

IUPACN-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ccco2)cc1OC
InChIInChI=1S/C16H21NO3/c1-3-8-20-15-7-6-13(10-16(15)18-2)11-17-12-14-5-4-9-19-14/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyFLNDZTAPPDDIPQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.37
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine

N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine (PubChem CID 29225923) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
PubChem CID29225923
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ccco2)cc1OC
InChIInChI=1S/C16H21NO3/c1-3-8-20-15-7-6-13(10-16(15)18-2)11-17-12-14-5-4-9-19-14/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyFLNDZTAPPDDIPQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
1-(furan-2-ylmethyl)-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 110933741
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 119111120
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine (CID 29225923) is N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine is CCCOc1ccc(CNCc2ccco2)cc1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine?
The InChIKey is FLNDZTAPPDDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-8-20-15-7-6-13(10-16(15)18-2)11-17-12-14-5-4-9-19-14/h4-7,9-10,17H,3,8,11-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine?
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine is sourced from PubChem (CID 29225923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).