N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine

C15H20FNO — CID 66360716

IUPACN-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
SMILESFc1ccc2c(c1)CC(CCCCNC1CC1)O2
InChIInChI=1S/C15H20FNO/c16-12-4-7-15-11(9-12)10-14(18-15)3-1-2-8-17-13-5-6-13/h4,7,9,13-14,17H,1-3,5-6,8,10H2
InChIKeyTUZRFKAOIYXMQE-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.05
Rot. Bonds6

About N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine

N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine (PubChem CID 66360716) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
PubChem CID66360716
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
SMILESFc1ccc2c(c1)CC(CCCCNC1CC1)O2
InChIInChI=1S/C15H20FNO/c16-12-4-7-15-11(9-12)10-14(18-15)3-1-2-8-17-13-5-6-13/h4,7,9,13-14,17H,1-3,5-6,8,10H2
InChIKeyTUZRFKAOIYXMQE-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.05
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

4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 66360718
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 66360317
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
CID 66361681
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 66364114
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine (CID 66360716) is N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine is Fc1ccc2c(c1)CC(CCCCNC1CC1)O2.
What is the InChIKey of N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine?
The InChIKey is TUZRFKAOIYXMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-12-4-7-15-11(9-12)10-14(18-15)3-1-2-8-17-13-5-6-13/h4,7,9,13-14,17H,1-3,5-6,8,10H2.
What are the key properties of N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine?
N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine has a molecular weight of 249.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 66360716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).