N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine

C16H23NO — CID 114008937

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
SMILESCCC1CC(NC2Cc3ccccc3C2)CCO1
InChIInChI=1S/C16H23NO/c1-2-16-11-14(7-8-18-16)17-15-9-12-5-3-4-6-13(12)10-15/h3-6,14-17H,2,7-11H2,1H3
InChIKeyLFTWNSVVBJVPAX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.70
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine (PubChem CID 114008937) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
PubChem CID114008937
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
SMILESCCC1CC(NC2Cc3ccccc3C2)CCO1
InChIInChI=1S/C16H23NO/c1-2-16-11-14(7-8-18-16)17-15-9-12-5-3-4-6-13(12)10-15/h3-6,14-17H,2,7-11H2,1H3
InChIKeyLFTWNSVVBJVPAX-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine (CID 114008937) is N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine is CCC1CC(NC2Cc3ccccc3C2)CCO1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine?
The InChIKey is LFTWNSVVBJVPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-16-11-14(7-8-18-16)17-15-9-12-5-3-4-6-13(12)10-15/h3-6,14-17H,2,7-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine has a molecular weight of 245.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine is sourced from PubChem (CID 114008937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).