3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline

C16H22N2O2 — CID 61423541

IUPAC3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
SMILESCCN(CCCOc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C16H22N2O2/c1-2-18(13-16-8-4-10-20-16)9-5-11-19-15-7-3-6-14(17)12-15/h3-4,6-8,10,12H,2,5,9,11,13,17H2,1H3
InChIKeyIPPCGRRMMFGBSP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.15
Rot. Bonds8

About 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline

3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline (PubChem CID 61423541) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline.

Molecular Properties

Compound Name3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
PubChem CID61423541
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
SMILESCCN(CCCOc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C16H22N2O2/c1-2-18(13-16-8-4-10-20-16)9-5-11-19-15-7-3-6-14(17)12-15/h3-4,6-8,10,12H,2,5,9,11,13,17H2,1H3
InChIKeyIPPCGRRMMFGBSP-UHFFFAOYSA-N
XLogP3.15
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
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

3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
3-(3-propoxypropoxy)aniline
CID 43247836

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline?
The IUPAC name of 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline (CID 61423541) is 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline.
What is the SMILES notation for 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline?
The canonical SMILES for 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline is CCN(CCCOc1cccc(N)c1)Cc1ccco1.
What is the InChIKey of 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline?
The InChIKey is IPPCGRRMMFGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18(13-16-8-4-10-20-16)9-5-11-19-15-7-3-6-14(17)12-15/h3-4,6-8,10,12H,2,5,9,11,13,17H2,1H3.
What are the key properties of 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline?
3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline has a molecular weight of 274.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline is sourced from PubChem (CID 61423541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).