N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine

C18H29NO2 — CID 64749835

IUPACN-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OC2CCC(CC)CC2)c1
InChIInChI=1S/C18H29NO2/c1-4-14-6-9-16(10-7-14)21-18-12-15(13-19-5-2)8-11-17(18)20-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3
InChIKeyBZXRMBZTNGUJNG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds7

About N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine

N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine (PubChem CID 64749835) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
PubChem CID64749835
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OC2CCC(CC)CC2)c1
InChIInChI=1S/C18H29NO2/c1-4-14-6-9-16(10-7-14)21-18-12-15(13-19-5-2)8-11-17(18)20-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3
InChIKeyBZXRMBZTNGUJNG-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
CID 64749126
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine (CID 64749835) is N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)c(OC2CCC(CC)CC2)c1.
What is the InChIKey of N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is BZXRMBZTNGUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-6-9-16(10-7-14)21-18-12-15(13-19-5-2)8-11-17(18)20-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3.
What are the key properties of N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine?
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 64749835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).