N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine

C14H17NO — CID 103701656

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-6,10,15H,3-4,7-9,11H2
InChIKeyLWONAILOVLPYPZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.12
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine (PubChem CID 103701656) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
PubChem CID103701656
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-6,10,15H,3-4,7-9,11H2
InChIKeyLWONAILOVLPYPZ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923166
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
CID 61038414
3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
CID 103786894

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine (CID 103701656) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine is C#CCCCNCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine?
The InChIKey is LWONAILOVLPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16-14/h1,5-6,10,15H,3-4,7-9,11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine is sourced from PubChem (CID 103701656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).