N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine

C18H25NO — CID 106888999

IUPACN-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(CC)c(CC)c1
InChIInChI=1S/C18H25NO/c1-4-10-19-13-18-17(9-11-20-18)16-8-7-14(5-2)15(6-3)12-16/h7-9,11-12,19H,4-6,10,13H2,1-3H3
InChIKeyXCQFIARDWCIBNA-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.57
Rot. Bonds7

About N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888999) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888999
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(CC)c(CC)c1
InChIInChI=1S/C18H25NO/c1-4-10-19-13-18-17(9-11-20-18)16-8-7-14(5-2)15(6-3)12-16/h7-9,11-12,19H,4-6,10,13H2,1-3H3
InChIKeyXCQFIARDWCIBNA-UHFFFAOYSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine 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-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887819
3-(3,4-diethylphenyl)furan-2-carbaldehyde
CID 106888488
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
CID 106888721
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
CID 106888690
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine (CID 106888999) is N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccc(CC)c(CC)c1.
What is the InChIKey of N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XCQFIARDWCIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-10-19-13-18-17(9-11-20-18)16-8-7-14(5-2)15(6-3)12-16/h7-9,11-12,19H,4-6,10,13H2,1-3H3.
What are the key properties of N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).