2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine

C20H33NO — CID 21025440

IUPAC2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine
SMILESCC(C)C1CCC(Cc2ccccc2)(OCCN(C)C)CC1
InChIInChI=1S/C20H33NO/c1-17(2)19-10-12-20(13-11-19,22-15-14-21(3)4)16-18-8-6-5-7-9-18/h5-9,17,19H,10-16H2,1-4H3
InChIKeyIHIUZUORGQZCTQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.39
Rot. Bonds7

About 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine

2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine (PubChem CID 21025440) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine
PubChem CID21025440
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine
SMILESCC(C)C1CCC(Cc2ccccc2)(OCCN(C)C)CC1
InChIInChI=1S/C20H33NO/c1-17(2)19-10-12-20(13-11-19,22-15-14-21(3)4)16-18-8-6-5-7-9-18/h5-9,17,19H,10-16H2,1-4H3
InChIKeyIHIUZUORGQZCTQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine (CID 21025440) is 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine is CC(C)C1CCC(Cc2ccccc2)(OCCN(C)C)CC1.
What is the InChIKey of 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine?
The InChIKey is IHIUZUORGQZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-17(2)19-10-12-20(13-11-19,22-15-14-21(3)4)16-18-8-6-5-7-9-18/h5-9,17,19H,10-16H2,1-4H3.
What are the key properties of 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine?
2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine has a molecular weight of 303.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 21025440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).