1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine

C17H24FNO — CID 114728136

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO/c1-4-9-19-15(7-5-12(2)3)17-11-13-10-14(18)6-8-16(13)20-17/h6,8,10-12,15,19H,4-5,7,9H2,1-3H3
InChIKeyZGKWDRPXSMKSHP-UHFFFAOYSA-N
MW277.38 g/mol
LogP5.05
Rot. Bonds7

About 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 114728136) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID114728136
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO/c1-4-9-19-15(7-5-12(2)3)17-11-13-10-14(18)6-8-16(13)20-17/h6,8,10-12,15,19H,4-5,7,9H2,1-3H3
InChIKeyZGKWDRPXSMKSHP-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-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

1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine (CID 114728136) is 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is ZGKWDRPXSMKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-9-19-15(7-5-12(2)3)17-11-13-10-14(18)6-8-16(13)20-17/h6,8,10-12,15,19H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114728136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).