8-fluoro-2,7-dimethylphenanthren-1-amine

C16H14FN — CID 143612339

IUPAC8-fluoro-2,7-dimethylphenanthren-1-amine
SMILESCc1ccc2c(ccc3c(F)c(C)ccc32)c1N
InChIInChI=1S/C16H14FN/c1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17/h3-8H,18H2,1-2H3
InChIKeyFMTZPSXSWFVCQO-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.33
Rot. Bonds

About 8-fluoro-2,7-dimethylphenanthren-1-amine

8-fluoro-2,7-dimethylphenanthren-1-amine (PubChem CID 143612339) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 8-fluoro-2,7-dimethylphenanthren-1-amine.

Molecular Properties

Compound Name8-fluoro-2,7-dimethylphenanthren-1-amine
PubChem CID143612339
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name8-fluoro-2,7-dimethylphenanthren-1-amine
SMILESCc1ccc2c(ccc3c(F)c(C)ccc32)c1N
InChIInChI=1S/C16H14FN/c1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17/h3-8H,18H2,1-2H3
InChIKeyFMTZPSXSWFVCQO-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,7-dimethylphenanthren-1-amine?
The IUPAC name of 8-fluoro-2,7-dimethylphenanthren-1-amine (CID 143612339) is 8-fluoro-2,7-dimethylphenanthren-1-amine.
What is the SMILES notation for 8-fluoro-2,7-dimethylphenanthren-1-amine?
The canonical SMILES for 8-fluoro-2,7-dimethylphenanthren-1-amine is Cc1ccc2c(ccc3c(F)c(C)ccc32)c1N.
What is the InChIKey of 8-fluoro-2,7-dimethylphenanthren-1-amine?
The InChIKey is FMTZPSXSWFVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17/h3-8H,18H2,1-2H3.
What are the key properties of 8-fluoro-2,7-dimethylphenanthren-1-amine?
8-fluoro-2,7-dimethylphenanthren-1-amine has a molecular weight of 239.29 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,7-dimethylphenanthren-1-amine is sourced from PubChem (CID 143612339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).