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

C16H16FNO — CID 65419629

IUPAC4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(F)cc2)CCOc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-7-5-12(6-8-13)11-16(18)9-10-19-15-4-2-1-3-14(15)16/h1-8H,9-11,18H2
InChIKeyLESQBJMVDNHTOX-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.00
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65419629) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65419629
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(F)cc2)CCOc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-7-5-12(6-8-13)11-16(18)9-10-19-15-4-2-1-3-14(15)16/h1-8H,9-11,18H2
InChIKeyLESQBJMVDNHTOX-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine (CID 65419629) is 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine is NC1(Cc2ccc(F)cc2)CCOc2ccccc21.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is LESQBJMVDNHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-7-5-12(6-8-13)11-16(18)9-10-19-15-4-2-1-3-14(15)16/h1-8H,9-11,18H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 257.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65419629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).