5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline

C16H22N2O2 — CID 82257617

IUPAC5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCc2ccco2)cc1N
InChIInChI=1S/C16H22N2O2/c1-2-9-20-16-6-5-13(11-15(16)17)7-8-18-12-14-4-3-10-19-14/h3-6,10-11,18H,2,7-9,12,17H2,1H3
InChIKeySQCCRHNCPWLWQX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.98
Rot. Bonds8

About 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline

5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline (PubChem CID 82257617) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
PubChem CID82257617
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCc2ccco2)cc1N
InChIInChI=1S/C16H22N2O2/c1-2-9-20-16-6-5-13(11-15(16)17)7-8-18-12-14-4-3-10-19-14/h3-6,10-11,18H,2,7-9,12,17H2,1H3
InChIKeySQCCRHNCPWLWQX-UHFFFAOYSA-N
XLogP2.98
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.98
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

2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline (CID 82257617) is 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNCc2ccco2)cc1N.
What is the InChIKey of 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline?
The InChIKey is SQCCRHNCPWLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-9-20-16-6-5-13(11-15(16)17)7-8-18-12-14-4-3-10-19-14/h3-6,10-11,18H,2,7-9,12,17H2,1H3.
What are the key properties of 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline?
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline has a molecular weight of 274.36 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 82257617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).