N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline

C18H21NO2 — CID 43778884

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO2/c1-13(15-6-7-18-16(11-15)8-9-21-18)19-17-5-3-4-14(10-17)12-20-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3
InChIKeyWTRSYMBVUVKATD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline (PubChem CID 43778884) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
PubChem CID43778884
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO2/c1-13(15-6-7-18-16(11-15)8-9-21-18)19-17-5-3-4-14(10-17)12-20-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3
InChIKeyWTRSYMBVUVKATD-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.94
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-iodoaniline
CID 43773391
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
CID 107678862
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline (CID 43778884) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline is COCc1cccc(NC(C)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline?
The InChIKey is WTRSYMBVUVKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(15-6-7-18-16(11-15)8-9-21-18)19-17-5-3-4-14(10-17)12-20-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline has a molecular weight of 283.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43778884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).