2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine

C16H25NO — CID 55019101

IUPAC2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)OC1CCC(C)CC1
InChIInChI=1S/C16H25NO/c1-12-7-9-14(10-8-12)18-16(11-17)15-6-4-3-5-13(15)2/h3-6,12,14,16H,7-11,17H2,1-2H3
InChIKeyPRHXOBQWYIZCFR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine

2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine (PubChem CID 55019101) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
PubChem CID55019101
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)OC1CCC(C)CC1
InChIInChI=1S/C16H25NO/c1-12-7-9-14(10-8-12)18-16(11-17)15-6-4-3-5-13(15)2/h3-6,12,14,16H,7-11,17H2,1-2H3
InChIKeyPRHXOBQWYIZCFR-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine (CID 55019101) is 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)OC1CCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine?
The InChIKey is PRHXOBQWYIZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-9-14(10-8-12)18-16(11-17)15-6-4-3-5-13(15)2/h3-6,12,14,16H,7-11,17H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine?
2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 55019101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).