N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine

C20H23NO3 — CID 54849787

IUPACN-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCCOCCOc1ccc2ccccc2c1CNCc1ccco1
InChIInChI=1S/C20H23NO3/c1-2-22-12-13-24-20-10-9-16-6-3-4-8-18(16)19(20)15-21-14-17-7-5-11-23-17/h3-11,21H,2,12-15H2,1H3
InChIKeyQDLOXIHFZVYKKZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.14
Rot. Bonds9

About N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine

N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 54849787) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID54849787
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCCOCCOc1ccc2ccccc2c1CNCc1ccco1
InChIInChI=1S/C20H23NO3/c1-2-22-12-13-24-20-10-9-16-6-3-4-8-18(16)19(20)15-21-14-17-7-5-11-23-17/h3-11,21H,2,12-15H2,1H3
InChIKeyQDLOXIHFZVYKKZ-UHFFFAOYSA-N
XLogP4.14
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)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-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54847652
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
CID 54801101
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine (CID 54849787) is N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine is CCOCCOc1ccc2ccccc2c1CNCc1ccco1.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is QDLOXIHFZVYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-22-12-13-24-20-10-9-16-6-3-4-8-18(16)19(20)15-21-14-17-7-5-11-23-17/h3-11,21H,2,12-15H2,1H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 325.41 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 54849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).