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

C14H17NO — CID 104806388

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCC1Cc2ccccc2O1
InChIInChI=1S/C14H17NO/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,6,9-11H2,1H3
InChIKeyKBVYZDLSFKTSEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.99
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine (PubChem CID 104806388) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
PubChem CID104806388
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCC1Cc2ccccc2O1
InChIInChI=1S/C14H17NO/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,6,9-11H2,1H3
InChIKeyKBVYZDLSFKTSEX-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine
CID 116643892
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
CID 106212017
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pent-3-yn-1-amine
CID 104807157
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine (CID 104806388) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine is CC#CCCNCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine?
The InChIKey is KBVYZDLSFKTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,6,9-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.99, 4 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-2-ylmethyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).