N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H21NO2 — CID 43208241

IUPACN-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCOc1ccccc1CNC1CCCc2occc21
InChIInChI=1S/C17H21NO2/c1-2-19-16-8-4-3-6-13(16)12-18-15-7-5-9-17-14(15)10-11-20-17/h3-4,6,8,10-11,15,18H,2,5,7,9,12H2,1H3
InChIKeyIGIXAQZXUOBHOH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43208241) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43208241
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCOc1ccccc1CNC1CCCc2occc21
InChIInChI=1S/C17H21NO2/c1-2-19-16-8-4-3-6-13(16)12-18-15-7-5-9-17-14(15)10-11-20-17/h3-4,6,8,10-11,15,18H,2,5,7,9,12H2,1H3
InChIKeyIGIXAQZXUOBHOH-UHFFFAOYSA-N
XLogP3.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenoxy]acetonitrile
CID 43435306
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605
N-(1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 60761723
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43324022
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43583773
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 112549268
N-[(4-phenylmethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113221605
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466407

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43208241) is N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCOc1ccccc1CNC1CCCc2occc21.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is IGIXAQZXUOBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-19-16-8-4-3-6-13(16)12-18-15-7-5-9-17-14(15)10-11-20-17/h3-4,6,8,10-11,15,18H,2,5,7,9,12H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43208241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).