2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline

C16H20N2O — CID 55079204

IUPAC2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESNc1ccccc1CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H20N2O/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2
InChIKeyFUPRRPDOQAYLLC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds6

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

2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline (PubChem CID 55079204) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
PubChem CID55079204
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESNc1ccccc1CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H20N2O/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2
InChIKeyFUPRRPDOQAYLLC-UHFFFAOYSA-N
XLogP3.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
CID 62496584
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline?
The IUPAC name of 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline (CID 55079204) is 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline.
What is the SMILES notation for 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline?
The canonical SMILES for 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline is Nc1ccccc1CCN(Cc1ccco1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline?
The InChIKey is FUPRRPDOQAYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2.
What are the key properties of 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline?
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline is sourced from PubChem (CID 55079204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).