[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine

C15H25NO2 — CID 62445112

IUPAC[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
SMILESCCC1CCCCC1OCc1cc(CN)oc1C
InChIInChI=1S/C15H25NO2/c1-3-12-6-4-5-7-15(12)17-10-13-8-14(9-16)18-11(13)2/h8,12,15H,3-7,9-10,16H2,1-2H3
InChIKeySDIJYXZMCXJQEY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.53
Rot. Bonds5

About [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine

[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine (PubChem CID 62445112) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
PubChem CID62445112
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
SMILESCCC1CCCCC1OCc1cc(CN)oc1C
InChIInChI=1S/C15H25NO2/c1-3-12-6-4-5-7-15(12)17-10-13-8-14(9-16)18-11(13)2/h8,12,15H,3-7,9-10,16H2,1-2H3
InChIKeySDIJYXZMCXJQEY-UHFFFAOYSA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
CID 62274302
[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 64731019
[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
CID 62017257
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62457498
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126
4-[(2-ethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81117330
5-[(2-ethylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 63576626

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine (CID 62445112) is [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine is CCC1CCCCC1OCc1cc(CN)oc1C.
What is the InChIKey of [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is SDIJYXZMCXJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-12-6-4-5-7-15(12)17-10-13-8-14(9-16)18-11(13)2/h8,12,15H,3-7,9-10,16H2,1-2H3.
What are the key properties of [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62445112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).