N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

C17H22FNO — CID 114727995

IUPACN-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)C1CCCC1
InChIInChI=1S/C17H22FNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3
InChIKeyULGZZKGLQSJXCL-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.80
Rot. Bonds5

About N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114727995) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114727995
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)C1CCCC1
InChIInChI=1S/C17H22FNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3
InChIKeyULGZZKGLQSJXCL-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339280
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114727995) is N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(F)c2o1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is ULGZZKGLQSJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3.
What are the key properties of N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114727995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).