5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

C16H16FNO — CID 116531102

IUPAC5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NOCc1ccccc1
InChIInChI=1S/C16H16FNO/c17-14-7-8-15-13(10-14)6-9-16(15)18-19-11-12-4-2-1-3-5-12/h1-5,7-8,10,16,18H,6,9,11H2
InChIKeyHFFBSXSVRZQYAZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.53
Rot. Bonds4

About 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531102) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID116531102
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NOCc1ccccc1
InChIInChI=1S/C16H16FNO/c17-14-7-8-15-13(10-14)6-9-16(15)18-19-11-12-4-2-1-3-5-12/h1-5,7-8,10,16,18H,6,9,11H2
InChIKeyHFFBSXSVRZQYAZ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (CID 116531102) is 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2NOCc1ccccc1.
What is the InChIKey of 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HFFBSXSVRZQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-7-8-15-13(10-14)6-9-16(15)18-19-11-12-4-2-1-3-5-12/h1-5,7-8,10,16,18H,6,9,11H2.
What are the key properties of 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 257.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).