N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H19NO2 — CID 115466439

IUPACN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1ccc(OCCNC2CCCc3occc32)cc1
InChIInChI=1S/C16H19NO2/c1-2-5-13(6-3-1)18-12-10-17-15-7-4-8-16-14(15)9-11-19-16/h1-3,5-6,9,11,15,17H,4,7-8,10,12H2
InChIKeyDUVZNPVDVPRKQF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds5

About N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466439) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466439
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1ccc(OCCNC2CCCc3occc32)cc1
InChIInChI=1S/C16H19NO2/c1-2-5-13(6-3-1)18-12-10-17-15-7-4-8-16-14(15)9-11-19-16/h1-3,5-6,9,11,15,17H,4,7-8,10,12H2
InChIKeyDUVZNPVDVPRKQF-UHFFFAOYSA-N
XLogP3.33
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
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

(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 99778869
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
N-[(4-phenylmethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113221605
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
(4R)-N-[2-(2-methylsulfonylethoxy)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 124625423
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208241
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466439) is N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1ccc(OCCNC2CCCc3occc32)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is DUVZNPVDVPRKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-5-13(6-3-1)18-12-10-17-15-7-4-8-16-14(15)9-11-19-16/h1-3,5-6,9,11,15,17H,4,7-8,10,12H2.
What are the key properties of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 257.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).