2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline

C15H20N2O2 — CID 82257562

IUPAC2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
SMILESCCOc1ccc(CCNCc2ccco2)cc1N
InChIInChI=1S/C15H20N2O2/c1-2-18-15-6-5-12(10-14(15)16)7-8-17-11-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11,16H2,1H3
InChIKeySKJDEAUDSFNRKW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds7

About 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline

2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline (PubChem CID 82257562) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
PubChem CID82257562
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
SMILESCCOc1ccc(CCNCc2ccco2)cc1N
InChIInChI=1S/C15H20N2O2/c1-2-18-15-6-5-12(10-14(15)16)7-8-17-11-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11,16H2,1H3
InChIKeySKJDEAUDSFNRKW-UHFFFAOYSA-N
XLogP2.59
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline?
The IUPAC name of 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline (CID 82257562) is 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline is CCOc1ccc(CCNCc2ccco2)cc1N.
What is the InChIKey of 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline?
The InChIKey is SKJDEAUDSFNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-18-15-6-5-12(10-14(15)16)7-8-17-11-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11,16H2,1H3.
What are the key properties of 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline?
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline is sourced from PubChem (CID 82257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).