N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine

C18H18FNO — CID 114732190

IUPACN-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc3ccccc3o2)cc1F
InChIInChI=1S/C18H18FNO/c1-2-9-20-12-15-8-7-14(10-16(15)19)18-11-13-5-3-4-6-17(13)21-18/h3-8,10-11,20H,2,9,12H2,1H3
InChIKeyWEEHBOXZTQNGGZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.74
Rot. Bonds5

About N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine

N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine (PubChem CID 114732190) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
PubChem CID114732190
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc3ccccc3o2)cc1F
InChIInChI=1S/C18H18FNO/c1-2-9-20-12-15-8-7-14(10-16(15)19)18-11-13-5-3-4-6-17(13)21-18/h3-8,10-11,20H,2,9,12H2,1H3
InChIKeyWEEHBOXZTQNGGZ-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
CID 114732182
N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732476
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145257
N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287939
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
CID 114732147
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 54196974

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine (CID 114732190) is N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc3ccccc3o2)cc1F.
What is the InChIKey of N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine?
The InChIKey is WEEHBOXZTQNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-9-20-12-15-8-7-14(10-16(15)19)18-11-13-5-3-4-6-17(13)21-18/h3-8,10-11,20H,2,9,12H2,1H3.
What are the key properties of N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine?
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine has a molecular weight of 283.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 114732190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).