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

C18H21NO2 — CID 62550128

IUPAC3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCc1ccc(OC2COc3ccccc3C2N)cc1
InChIInChI=1S/C18H21NO2/c1-2-5-13-8-10-14(11-9-13)21-17-12-20-16-7-4-3-6-15(16)18(17)19/h3-4,6-11,17-18H,2,5,12,19H2,1H3
InChIKeyHKFHUFLVFQZHDH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.48
Rot. Bonds4

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

3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 62550128) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID62550128
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCc1ccc(OC2COc3ccccc3C2N)cc1
InChIInChI=1S/C18H21NO2/c1-2-5-13-8-10-14(11-9-13)21-17-12-20-16-7-4-3-6-15(16)18(17)19/h3-4,6-11,17-18H,2,5,12,19H2,1H3
InChIKeyHKFHUFLVFQZHDH-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine (CID 62550128) is 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine is CCCc1ccc(OC2COc3ccccc3C2N)cc1.
What is the InChIKey of 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HKFHUFLVFQZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-5-13-8-10-14(11-9-13)21-17-12-20-16-7-4-3-6-15(16)18(17)19/h3-4,6-11,17-18H,2,5,12,19H2,1H3.
What are the key properties of 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine?
3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 62550128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).