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

C17H19NO2 — CID 43804284

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO2/c1-19-12-14-3-2-4-16(10-14)18-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,18H,7-8,11-12H2,1H3
InChIKeyOYJZICMDVGDGMZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.38
Rot. Bonds5

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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline (PubChem CID 43804284) 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)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
PubChem CID43804284
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO2/c1-19-12-14-3-2-4-16(10-14)18-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,18H,7-8,11-12H2,1H3
InChIKeyOYJZICMDVGDGMZ-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
CID 43778884
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethynylaniline
CID 43803944
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61016912
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
CID 82709471

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline (CID 43804284) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline is COCc1cccc(NCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline?
The InChIKey is OYJZICMDVGDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-12-14-3-2-4-16(10-14)18-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,18H,7-8,11-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline has a molecular weight of 269.34 g/mol, XLogP of 3.38, 5 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)-3-(methoxymethyl)aniline is sourced from PubChem (CID 43804284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).