N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

C17H19NO2 — CID 43732693

IUPACN-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCOc1ccccc1C(C)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12(15-5-3-4-6-17(15)19-2)18-14-7-8-16-13(11-14)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBBFAAMACPPCSNA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.80
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732693) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732693
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCOc1ccccc1C(C)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12(15-5-3-4-6-17(15)19-2)18-14-7-8-16-13(11-14)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBBFAAMACPPCSNA-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788569
2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
CID 43732552
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 82963206
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
N-[1-(2-ethoxyphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196995
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
CID 43773391
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 102613241
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732693) is N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is COc1ccccc1C(C)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is BBFAAMACPPCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(15-5-3-4-6-17(15)19-2)18-14-7-8-16-13(11-14)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 269.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).