4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline

C16H20N2O — CID 112558089

IUPAC4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CNCCc3ccco3)CC2)cc1
InChIInChI=1S/C16H20N2O/c17-14-5-3-13(4-6-14)16(8-9-16)12-18-10-7-15-2-1-11-19-15/h1-6,11,18H,7-10,12,17H2
InChIKeyKLMQZBPJMHYFDD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds6

About 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline

4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline (PubChem CID 112558089) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline
PubChem CID112558089
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CNCCc3ccco3)CC2)cc1
InChIInChI=1S/C16H20N2O/c17-14-5-3-13(4-6-14)16(8-9-16)12-18-10-7-15-2-1-11-19-15/h1-6,11,18H,7-10,12,17H2
InChIKeyKLMQZBPJMHYFDD-UHFFFAOYSA-N
XLogP2.73
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355012
4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
CID 112558033
4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine
CID 66263072
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline (CID 112558089) is 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline is Nc1ccc(C2(CNCCc3ccco3)CC2)cc1.
What is the InChIKey of 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline?
The InChIKey is KLMQZBPJMHYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-14-5-3-13(4-6-14)16(8-9-16)12-18-10-7-15-2-1-11-19-15/h1-6,11,18H,7-10,12,17H2.
What are the key properties of 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline?
4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 112558089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).