N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C16H16FNO — CID 107148812

IUPACN-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc(CNC2COCc3ccccc32)cc1
InChIInChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,18H,9-11H2
InChIKeyWOWKDYADBFHHEQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.19
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107148812) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107148812
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc(CNC2COCc3ccccc32)cc1
InChIInChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,18H,9-11H2
InChIKeyWOWKDYADBFHHEQ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107148812) is N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine is Fc1ccc(CNC2COCc3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is WOWKDYADBFHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,18H,9-11H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 257.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107148812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).