[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine

C15H23NO — CID 70298951

IUPAC[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cccc(C)c2)CC1
InChIInChI=1S/C15H23NO/c1-12-4-3-5-13(10-12)15(11-16)8-6-14(17-2)7-9-15/h3-5,10,14H,6-9,11,16H2,1-2H3
InChIKeyFVRZOBLVBNWROO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.78
Rot. Bonds3

About [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine

[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine (PubChem CID 70298951) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
PubChem CID70298951
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cccc(C)c2)CC1
InChIInChI=1S/C15H23NO/c1-12-4-3-5-13(10-12)15(11-16)8-6-14(17-2)7-9-15/h3-5,10,14H,6-9,11,16H2,1-2H3
InChIKeyFVRZOBLVBNWROO-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine (CID 70298951) is [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine is COC1CCC(CN)(c2cccc(C)c2)CC1.
What is the InChIKey of [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine?
The InChIKey is FVRZOBLVBNWROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-3-5-13(10-12)15(11-16)8-6-14(17-2)7-9-15/h3-5,10,14H,6-9,11,16H2,1-2H3.
What are the key properties of [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine?
[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 70298951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).