1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine

C16H25NO — CID 81027952

IUPAC1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccc(OC)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-14(18-3)8-9-15(12)16-7-5-4-6-13(16)11-17-2/h8-10,13,16-17H,4-7,11H2,1-3H3
InChIKeyUKQCIZDUOQHLFJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine

1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81027952) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81027952
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1ccc(OC)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-14(18-3)8-9-15(12)16-7-5-4-6-13(16)11-17-2/h8-10,13,16-17H,4-7,11H2,1-3H3
InChIKeyUKQCIZDUOQHLFJ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine (CID 81027952) is 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1c1ccc(OC)cc1C.
What is the InChIKey of 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is UKQCIZDUOQHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-10-14(18-3)8-9-15(12)16-7-5-4-6-13(16)11-17-2/h8-10,13,16-17H,4-7,11H2,1-3H3.
What are the key properties of 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81027952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).