2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C18H27NO — CID 64745338

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H27NO/c1-12-8-9-15(10-13(12)2)20-17-11-14-6-4-5-7-16(14)18(17)19-3/h4-7,12-13,15,17-19H,8-11H2,1-3H3
InChIKeyHCOOQFXROYEZIZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.71
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64745338) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64745338
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H27NO/c1-12-8-9-15(10-13(12)2)20-17-11-14-6-4-5-7-16(14)18(17)19-3/h4-7,12-13,15,17-19H,8-11H2,1-3H3
InChIKeyHCOOQFXROYEZIZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 64745338) is 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1OC1CCC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HCOOQFXROYEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-8-9-15(10-13(12)2)20-17-11-14-6-4-5-7-16(14)18(17)19-3/h4-7,12-13,15,17-19H,8-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64745338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).