2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

C18H21NO2 — CID 114709530

IUPAC2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1ccc(C2CC(N)c3ccccc3O2)cc1
InChIInChI=1S/C18H21NO2/c1-2-11-20-14-9-7-13(8-10-14)18-12-16(19)15-5-3-4-6-17(15)21-18/h3-10,16,18H,2,11-12,19H2,1H3
InChIKeyVNHKJEZYUPIDRE-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709530) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709530
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1ccc(C2CC(N)c3ccccc3O2)cc1
InChIInChI=1S/C18H21NO2/c1-2-11-20-14-9-7-13(8-10-14)18-12-16(19)15-5-3-4-6-17(15)21-18/h3-10,16,18H,2,11-12,19H2,1H3
InChIKeyVNHKJEZYUPIDRE-UHFFFAOYSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709530) is 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is CCCOc1ccc(C2CC(N)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VNHKJEZYUPIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-11-20-14-9-7-13(8-10-14)18-12-16(19)15-5-3-4-6-17(15)21-18/h3-10,16,18H,2,11-12,19H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).