N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine

C16H25NO — CID 79725522

IUPACN-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2cc(OC(C)C)ccc2C(C)C1C
InChIInChI=1S/C16H25NO/c1-6-17-16-12(5)11(4)14-8-7-13(9-15(14)16)18-10(2)3/h7-12,16-17H,6H2,1-5H3
InChIKeyXEOWIRIMSFELQZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds4

About N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine

N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79725522) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79725522
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2cc(OC(C)C)ccc2C(C)C1C
InChIInChI=1S/C16H25NO/c1-6-17-16-12(5)11(4)14-8-7-13(9-15(14)16)18-10(2)3/h7-12,16-17H,6H2,1-5H3
InChIKeyXEOWIRIMSFELQZ-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine (CID 79725522) is N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine is CCNC1c2cc(OC(C)C)ccc2C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XEOWIRIMSFELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17-16-12(5)11(4)14-8-7-13(9-15(14)16)18-10(2)3/h7-12,16-17H,6H2,1-5H3.
What are the key properties of N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79725522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).