1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine

C17H24FNO — CID 114728135

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H24FNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11-12,15,19H,4,8-10H2,1-3H3
InChIKeyUWTMRNFXCOOOIR-UHFFFAOYSA-N
MW277.38 g/mol
LogP5.05
Rot. Bonds7

About 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 114728135) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID114728135
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H24FNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11-12,15,19H,4,8-10H2,1-3H3
InChIKeyUWTMRNFXCOOOIR-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

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine (CID 114728135) is 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is UWTMRNFXCOOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11-12,15,19H,4,8-10H2,1-3H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine?
1-(7-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-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).