4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol

C16H15F2NO2 — CID 79831854

IUPAC4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNC2CCOc3ccccc32)cc1F
InChIInChI=1S/C16H15F2NO2/c17-12-7-10(8-13(18)16(12)20)9-19-14-5-6-21-15-4-2-1-3-11(14)15/h1-4,7-8,14,19-20H,5-6,9H2
InChIKeySSTKBCWCDUKTMR-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.28
Rot. Bonds3

About 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol

4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol (PubChem CID 79831854) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
PubChem CID79831854
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNC2CCOc3ccccc32)cc1F
InChIInChI=1S/C16H15F2NO2/c17-12-7-10(8-13(18)16(12)20)9-19-14-5-6-21-15-4-2-1-3-11(14)15/h1-4,7-8,14,19-20H,5-6,9H2
InChIKeySSTKBCWCDUKTMR-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106263406
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol (CID 79831854) is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol is Oc1c(F)cc(CNC2CCOc3ccccc32)cc1F.
What is the InChIKey of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol?
The InChIKey is SSTKBCWCDUKTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-12-7-10(8-13(18)16(12)20)9-19-14-5-6-21-15-4-2-1-3-11(14)15/h1-4,7-8,14,19-20H,5-6,9H2.
What are the key properties of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol?
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol has a molecular weight of 291.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 79831854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).