4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine

C17H19NO2 — CID 65419418

IUPAC4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESCOc1ccccc1CC1(N)CCOc2ccccc21
InChIInChI=1S/C17H19NO2/c1-19-15-8-4-2-6-13(15)12-17(18)10-11-20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
InChIKeyMEZGFCOFDIPVRF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.87
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine

4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65419418) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65419418
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESCOc1ccccc1CC1(N)CCOc2ccccc21
InChIInChI=1S/C17H19NO2/c1-19-15-8-4-2-6-13(15)12-17(18)10-11-20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
InChIKeyMEZGFCOFDIPVRF-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine (CID 65419418) is 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine is COc1ccccc1CC1(N)CCOc2ccccc21.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is MEZGFCOFDIPVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-15-8-4-2-6-13(15)12-17(18)10-11-20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine?
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65419418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).