N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine

C17H19NO2 — CID 61038414

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
SMILESc1ccc(OCCNCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H19NO2/c1-2-4-16(5-3-1)19-11-9-18-13-14-6-7-17-15(12-14)8-10-20-17/h1-7,12,18H,8-11,13H2
InChIKeyGYIHNZKYKKMJMD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.79
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine (PubChem CID 61038414) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
PubChem CID61038414
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
SMILESc1ccc(OCCNCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H19NO2/c1-2-4-16(5-3-1)19-11-9-18-13-14-6-7-17-15(12-14)8-10-20-17/h1-7,12,18H,8-11,13H2
InChIKeyGYIHNZKYKKMJMD-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 65446343
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
CID 82709471
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
CID 103701656
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923166
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine (CID 61038414) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine is c1ccc(OCCNCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine?
The InChIKey is GYIHNZKYKKMJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-4-16(5-3-1)19-11-9-18-13-14-6-7-17-15(12-14)8-10-20-17/h1-7,12,18H,8-11,13H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine has a molecular weight of 269.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine is sourced from PubChem (CID 61038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).