N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine

C16H27NO2 — CID 62445110

IUPACN-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COC1CCCCC1CC
InChIInChI=1S/C16H27NO2/c1-3-13-7-5-6-8-15(13)19-12-16-14(9-10-18-16)11-17-4-2/h9-10,13,15,17H,3-8,11-12H2,1-2H3
InChIKeyQYUBBTCEMCBPFA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.87
Rot. Bonds7

About N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine

N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine (PubChem CID 62445110) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
PubChem CID62445110
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COC1CCCCC1CC
InChIInChI=1S/C16H27NO2/c1-3-13-7-5-6-8-15(13)19-12-16-14(9-10-18-16)11-17-4-2/h9-10,13,15,17H,3-8,11-12H2,1-2H3
InChIKeyQYUBBTCEMCBPFA-UHFFFAOYSA-N
XLogP3.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443768
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82825719
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine (CID 62445110) is N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COC1CCCCC1CC.
What is the InChIKey of N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine?
The InChIKey is QYUBBTCEMCBPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-13-7-5-6-8-15(13)19-12-16-14(9-10-18-16)11-17-4-2/h9-10,13,15,17H,3-8,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62445110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).