N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H20FN — CID 82815052

IUPACN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1cc(F)cc(NC2c3ccccc3CC2(C)C)c1
InChIInChI=1S/C18H20FN/c1-12-8-14(19)10-15(9-12)20-17-16-7-5-4-6-13(16)11-18(17,2)3/h4-10,17,20H,11H2,1-3H3
InChIKeyCGXOHMGVWGLHQX-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.87
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82815052) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82815052
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1cc(F)cc(NC2c3ccccc3CC2(C)C)c1
InChIInChI=1S/C18H20FN/c1-12-8-14(19)10-15(9-12)20-17-16-7-5-4-6-13(16)11-18(17,2)3/h4-10,17,20H,11H2,1-3H3
InChIKeyCGXOHMGVWGLHQX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82815052) is N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is Cc1cc(F)cc(NC2c3ccccc3CC2(C)C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is CGXOHMGVWGLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-8-14(19)10-15(9-12)20-17-16-7-5-4-6-13(16)11-18(17,2)3/h4-10,17,20H,11H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 269.36 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82815052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).