3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine

C16H15F2NO — CID 105410678

IUPAC3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2cc(F)cc(F)c2)COc2ccccc2C1
InChIInChI=1S/C16H15F2NO/c17-13-5-11(6-14(18)7-13)8-16(19)9-12-3-1-2-4-15(12)20-10-16/h1-7H,8-10,19H2
InChIKeyQFYVESDOGXIZHN-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.84
Rot. Bonds2

About 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine

3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine (PubChem CID 105410678) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine
PubChem CID105410678
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2cc(F)cc(F)c2)COc2ccccc2C1
InChIInChI=1S/C16H15F2NO/c17-13-5-11(6-14(18)7-13)8-16(19)9-12-3-1-2-4-15(12)20-10-16/h1-7H,8-10,19H2
InChIKeyQFYVESDOGXIZHN-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine?
The IUPAC name of 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine (CID 105410678) is 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine?
The canonical SMILES for 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine is NC1(Cc2cc(F)cc(F)c2)COc2ccccc2C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine?
The InChIKey is QFYVESDOGXIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-5-11(6-14(18)7-13)8-16(19)9-12-3-1-2-4-15(12)20-10-16/h1-7H,8-10,19H2.
What are the key properties of 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine?
3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine has a molecular weight of 275.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methyl]-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 105410678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).