N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline

C18H19NO3 — CID 43824329

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H19NO3/c1-12(18-10-13-6-4-5-7-16(13)22-18)19-15-11-14(20-2)8-9-17(15)21-3/h4-12,19H,1-3H3
InChIKeyLENDEBCVMJCVOZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline

N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline (PubChem CID 43824329) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
PubChem CID43824329
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H19NO3/c1-12(18-10-13-6-4-5-7-16(13)22-18)19-15-11-14(20-2)8-9-17(15)21-3/h4-12,19H,1-3H3
InChIKeyLENDEBCVMJCVOZ-UHFFFAOYSA-N
XLogP4.62
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 112798738
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline (CID 43824329) is N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is LENDEBCVMJCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(18-10-13-6-4-5-7-16(13)22-18)19-15-11-14(20-2)8-9-17(15)21-3/h4-12,19H,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 297.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43824329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).