2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine

C17H27NO — CID 114340843

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-4-6-14(7-5-13)16(18)12-19-15-8-10-17(2,3)11-9-15/h4-7,15-16H,8-12,18H2,1-3H3
InChIKeyYXXZPBFOPBPPJX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine

2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine (PubChem CID 114340843) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
PubChem CID114340843
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-4-6-14(7-5-13)16(18)12-19-15-8-10-17(2,3)11-9-15/h4-7,15-16H,8-12,18H2,1-3H3
InChIKeyYXXZPBFOPBPPJX-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine (CID 114340843) is 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)COC2CCC(C)(C)CC2)cc1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The InChIKey is YXXZPBFOPBPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-6-14(7-5-13)16(18)12-19-15-8-10-17(2,3)11-9-15/h4-7,15-16H,8-12,18H2,1-3H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114340843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).