1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine

C18H26FNO — CID 105129790

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H26FNO/c1-4-6-7-8-16(20-11-5-2)18-13(3)15-12-14(19)9-10-17(15)21-18/h9-10,12,16,20H,4-8,11H2,1-3H3
InChIKeyYMJBSFWPSOZEDH-UHFFFAOYSA-N
MW291.41 g/mol
LogP5.50
Rot. Bonds8

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine (PubChem CID 105129790) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
PubChem CID105129790
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H26FNO/c1-4-6-7-8-16(20-11-5-2)18-13(3)15-12-14(19)9-10-17(15)21-18/h9-10,12,16,20H,4-8,11H2,1-3H3
InChIKeyYMJBSFWPSOZEDH-UHFFFAOYSA-N
XLogP5.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.41
LogP ≤ 55.50
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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Launch Full Analysis

Related Compounds

N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
CID 105298446
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine (CID 105129790) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine?
The InChIKey is YMJBSFWPSOZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-4-6-7-8-16(20-11-5-2)18-13(3)15-12-14(19)9-10-17(15)21-18/h9-10,12,16,20H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 105129790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).