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

C15H19NO — CID 106212017

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C15H19NO/c1-2-3-4-7-10-16-12-14-11-13-8-5-6-9-15(13)17-14/h1,5-6,8-9,14,16H,3-4,7,10-12H2
InChIKeyGKQQDRFVYVJZHO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.38
Rot. Bonds6

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine (PubChem CID 106212017) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
PubChem CID106212017
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C15H19NO/c1-2-3-4-7-10-16-12-14-11-13-8-5-6-9-15(13)17-14/h1,5-6,8-9,14,16H,3-4,7,10-12H2
InChIKeyGKQQDRFVYVJZHO-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.38
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-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
CID 104806388
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
CID 19065262
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine (CID 106212017) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine is C#CCCCCNCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine?
The InChIKey is GKQQDRFVYVJZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-7-10-16-12-14-11-13-8-5-6-9-15(13)17-14/h1,5-6,8-9,14,16H,3-4,7,10-12H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.38, 6 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)hex-5-yn-1-amine is sourced from PubChem (CID 106212017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).