2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 64776286

IUPAC2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCc1ccc(OC2CCC(C)CC2)c(CCN)c1
InChIInChI=1S/C16H25NO/c1-12-3-6-15(7-4-12)18-16-8-5-13(2)11-14(16)9-10-17/h5,8,11-12,15H,3-4,6-7,9-10,17H2,1-2H3
InChIKeyQOSIOJPOISAJGD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds4

About 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64776286) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64776286
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCc1ccc(OC2CCC(C)CC2)c(CCN)c1
InChIInChI=1S/C16H25NO/c1-12-3-6-15(7-4-12)18-16-8-5-13(2)11-14(16)9-10-17/h5,8,11-12,15H,3-4,6-7,9-10,17H2,1-2H3
InChIKeyQOSIOJPOISAJGD-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
CID 107700340
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
4-methyl-3-(4-methylcyclohexyl)oxyaniline
CID 64749048

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 64776286) is 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine is Cc1ccc(OC2CCC(C)CC2)c(CCN)c1.
What is the InChIKey of 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is QOSIOJPOISAJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-3-6-15(7-4-12)18-16-8-5-13(2)11-14(16)9-10-17/h5,8,11-12,15H,3-4,6-7,9-10,17H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64776286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).