5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C18H27NO — CID 107683560

IUPAC5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCCCC1Oc1ccc2c(c1)CCC2NC
InChIInChI=1S/C18H27NO/c1-3-13-6-4-5-7-18(13)20-15-9-10-16-14(12-15)8-11-17(16)19-2/h9-10,12-13,17-19H,3-8,11H2,1-2H3
InChIKeyBEXFVLPQMYPHLZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds4

About 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine

5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683560) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683560
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCCCC1Oc1ccc2c(c1)CCC2NC
InChIInChI=1S/C18H27NO/c1-3-13-6-4-5-7-18(13)20-15-9-10-16-14(12-15)8-11-17(16)19-2/h9-10,12-13,17-19H,3-8,11H2,1-2H3
InChIKeyBEXFVLPQMYPHLZ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-(2-ethylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 107683841
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 107683560) is 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CCC1CCCCC1Oc1ccc2c(c1)CCC2NC.
What is the InChIKey of 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BEXFVLPQMYPHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-13-6-4-5-7-18(13)20-15-9-10-16-14(12-15)8-11-17(16)19-2/h9-10,12-13,17-19H,3-8,11H2,1-2H3.
What are the key properties of 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).