2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C18H18FNO2 — CID 55410255

IUPAC2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CNCCc3cccc(F)c3)oc12
InChIInChI=1S/C18H18FNO2/c1-21-17-7-3-5-14-11-16(22-18(14)17)12-20-9-8-13-4-2-6-15(19)10-13/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyYVIZQUJIGZAHIR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 55410255) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID55410255
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CNCCc3cccc(F)c3)oc12
InChIInChI=1S/C18H18FNO2/c1-21-17-7-3-5-14-11-16(22-18(14)17)12-20-9-8-13-4-2-6-15(19)10-13/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyYVIZQUJIGZAHIR-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine 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'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 55410255) is 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is COc1cccc2cc(CNCCc3cccc(F)c3)oc12.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is YVIZQUJIGZAHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-21-17-7-3-5-14-11-16(22-18(14)17)12-20-9-8-13-4-2-6-15(19)10-13/h2-7,10-11,20H,8-9,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 299.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 55410255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).