N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

C15H18FNO — CID 114375397

IUPACN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2ccc(F)cc2c1C1CC1
InChIInChI=1S/C15H18FNO/c1-2-7-17-9-14-15(10-3-4-10)12-8-11(16)5-6-13(12)18-14/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyKMCOJKKNWCAQMM-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.95
Rot. Bonds5

About N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114375397) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114375397
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2ccc(F)cc2c1C1CC1
InChIInChI=1S/C15H18FNO/c1-2-7-17-9-14-15(10-3-4-10)12-8-11(16)5-6-13(12)18-14/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyKMCOJKKNWCAQMM-UHFFFAOYSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.95
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

N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375390
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 113405179
3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]propan-1-ol
CID 113410126
N-[(4-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 107287762
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184
N-[(3-tert-butyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375396
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
N-(dibenzofuran-2-ylmethyl)propan-1-amine
CID 19048253

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114375397) is N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2ccc(F)cc2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is KMCOJKKNWCAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-7-17-9-14-15(10-3-4-10)12-8-11(16)5-6-13(12)18-14/h5-6,8,10,17H,2-4,7,9H2,1H3.
What are the key properties of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114375397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).