N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine

C14H23NO2 — CID 62566530

IUPACN-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
SMILESCC1CCC(OCCNCc2ccco2)CC1
InChIInChI=1S/C14H23NO2/c1-12-4-6-13(7-5-12)17-10-8-15-11-14-3-2-9-16-14/h2-3,9,12-13,15H,4-8,10-11H2,1H3
InChIKeyLUGPOTBAVHJNRU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.96
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine

N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine (PubChem CID 62566530) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
PubChem CID62566530
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
SMILESCC1CCC(OCCNCc2ccco2)CC1
InChIInChI=1S/C14H23NO2/c1-12-4-6-13(7-5-12)17-10-8-15-11-14-3-2-9-16-14/h2-3,9,12-13,15H,4-8,10-11H2,1H3
InChIKeyLUGPOTBAVHJNRU-UHFFFAOYSA-N
XLogP2.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62571265
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
CID 115690981
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
2-methoxy-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566706
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine
CID 114470894
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine (CID 62566530) is N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine is CC1CCC(OCCNCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine?
The InChIKey is LUGPOTBAVHJNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-4-6-13(7-5-12)17-10-8-15-11-14-3-2-9-16-14/h2-3,9,12-13,15H,4-8,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine?
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 62566530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).