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

C17H19NO2 — CID 43757843

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12(18-15-5-3-4-6-17(15)19-2)13-7-8-16-14(11-13)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGNVYMJXPDROORW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.80
Rot. Bonds4

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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline (PubChem CID 43757843) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
PubChem CID43757843
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-12(18-15-5-3-4-6-17(15)19-2)13-7-8-16-14(11-13)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGNVYMJXPDROORW-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

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887
2-methoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 43110062
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylaniline
CID 43766595
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
CID 43778884
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
CID 43773391
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-ethoxyaniline
CID 112815839

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline (CID 43757843) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline is COc1ccccc1NC(C)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline?
The InChIKey is GNVYMJXPDROORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(18-15-5-3-4-6-17(15)19-2)13-7-8-16-14(11-13)9-10-20-16/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline 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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 43757843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).