1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine

C16H25NO — CID 23497852

IUPAC1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
SMILESCOC1(c2ccccc2)CCCCC1CN(C)C
InChIInChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyHRKLUXSFAYPUIK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine

1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine (PubChem CID 23497852) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
PubChem CID23497852
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
SMILESCOC1(c2ccccc2)CCCCC1CN(C)C
InChIInChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyHRKLUXSFAYPUIK-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine (CID 23497852) is 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine is COC1(c2ccccc2)CCCCC1CN(C)C.
What is the InChIKey of 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine?
The InChIKey is HRKLUXSFAYPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3.
What are the key properties of 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine?
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 23497852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).