2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine

C19H31NO — CID 82924017

IUPAC2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCNCC(c1ccc(OCC(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-15(2)14-21-18-11-9-17(10-12-18)19(13-20-3)16-7-5-4-6-8-16/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3
InChIKeyXPYLKDXLIUEIEH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.60
Rot. Bonds7

About 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine

2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 82924017) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID82924017
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCNCC(c1ccc(OCC(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-15(2)14-21-18-11-9-17(10-12-18)19(13-20-3)16-7-5-4-6-8-16/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3
InChIKeyXPYLKDXLIUEIEH-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine (CID 82924017) is 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine is CNCC(c1ccc(OCC(C)C)cc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is XPYLKDXLIUEIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)14-21-18-11-9-17(10-12-18)19(13-20-3)16-7-5-4-6-8-16/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine?
2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-2-[4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 82924017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).