N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine

C19H24FN3 — CID 166382382

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCC1(C)CC(NCCNc2cccc(F)n2)Cc2ccccc21
InChIInChI=1S/C19H24FN3/c1-19(2)13-15(12-14-6-3-4-7-16(14)19)21-10-11-22-18-9-5-8-17(20)23-18/h3-9,15,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyYZAXOZIKORFIEQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.51
Rot. Bonds5

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 166382382) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
PubChem CID166382382
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCC1(C)CC(NCCNc2cccc(F)n2)Cc2ccccc21
InChIInChI=1S/C19H24FN3/c1-19(2)13-15(12-14-6-3-4-7-16(14)19)21-10-11-22-18-9-5-8-17(20)23-18/h3-9,15,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyYZAXOZIKORFIEQ-UHFFFAOYSA-N
XLogP3.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine (CID 166382382) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine is CC1(C)CC(NCCNc2cccc(F)n2)Cc2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is YZAXOZIKORFIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-19(2)13-15(12-14-6-3-4-7-16(14)19)21-10-11-22-18-9-5-8-17(20)23-18/h3-9,15,21H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 313.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)-N'-(6-fluoro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 166382382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).