N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine

C14H21NO — CID 43512854

IUPACN-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOCCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-2-16-9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,2,5,8-11H2,1H3
InChIKeyFWMUPKWWHLYRBP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.17
Rot. Bonds6

About N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine

N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 43512854) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID43512854
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOCCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-2-16-9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,2,5,8-11H2,1H3
InChIKeyFWMUPKWWHLYRBP-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine (CID 43512854) is N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine is CCOCCCNC1Cc2ccccc2C1.
What is the InChIKey of N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FWMUPKWWHLYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-9-5-8-15-14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-15H,2,5,8-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43512854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).