N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C16H15F2NO — CID 107149374

IUPACN-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc(F)c(CNC2COCc3ccccc32)c1
InChIInChI=1S/C16H15F2NO/c17-13-5-6-15(18)12(7-13)8-19-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,16,19H,8-10H2
InChIKeyGFOKRLZXNNUMKP-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.33
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149374) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149374
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc(F)c(CNC2COCc3ccccc32)c1
InChIInChI=1S/C16H15F2NO/c17-13-5-6-15(18)12(7-13)8-19-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,16,19H,8-10H2
InChIKeyGFOKRLZXNNUMKP-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149374) is N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine is Fc1ccc(F)c(CNC2COCc3ccccc32)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is GFOKRLZXNNUMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-5-6-15(18)12(7-13)8-19-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,16,19H,8-10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).