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

C17H25FN2O — CID 66365688

IUPACN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H25FN2O/c1-2-7-19-11-15-4-3-8-20(15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3
InChIKeyJMBIAZMWVISDNQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.59
Rot. Bonds6

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

N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 66365688) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID66365688
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H25FN2O/c1-2-7-19-11-15-4-3-8-20(15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3
InChIKeyJMBIAZMWVISDNQ-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 66364910
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
CID 66364320
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316871
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62580726
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
CID 66365277
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313152
methyl (3S)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxylate
CID 115537460

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 66365688) is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is JMBIAZMWVISDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-7-19-11-15-4-3-8-20(15)12-16-10-13-9-14(18)5-6-17(13)21-16/h5-6,9,15-16,19H,2-4,7-8,10-12H2,1H3.
What are the key properties of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66365688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).