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

C17H19NO2 — CID 43804057

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12-3-5-17(19-2)15(9-12)18-11-13-4-6-16-14(10-13)7-8-20-16/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyCITFTFCSVKYFHN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.55
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline (PubChem CID 43804057) 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-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
PubChem CID43804057
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12-3-5-17(19-2)15(9-12)18-11-13-4-6-16-14(10-13)7-8-20-16/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyCITFTFCSVKYFHN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-methylaniline
CID 2853674
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-methoxybenzonitrile
CID 65341237
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
CID 43804425
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline (CID 43804057) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline?
The InChIKey is CITFTFCSVKYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-5-17(19-2)15(9-12)18-11-13-4-6-16-14(10-13)7-8-20-16/h3-6,9-10,18H,7-8,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline has a molecular weight of 269.34 g/mol, XLogP of 3.55, 4 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-methoxy-5-methylaniline is sourced from PubChem (CID 43804057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).