3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine

C14H21NO2 — CID 106459398

IUPAC3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine
SMILESCCCOCCC1(N)COc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-2-8-16-9-7-14(15)10-12-5-3-4-6-13(12)17-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyHIZAXSZUKWLRHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds5

About 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine

3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine (PubChem CID 106459398) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine
PubChem CID106459398
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine
SMILESCCCOCCC1(N)COc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-2-8-16-9-7-14(15)10-12-5-3-4-6-13(12)17-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyHIZAXSZUKWLRHD-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine?
The IUPAC name of 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine (CID 106459398) is 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine?
The canonical SMILES for 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine is CCCOCCC1(N)COc2ccccc2C1.
What is the InChIKey of 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine?
The InChIKey is HIZAXSZUKWLRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-8-16-9-7-14(15)10-12-5-3-4-6-13(12)17-11-14/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine?
3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethyl)-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 106459398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).