N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine

C16H19FN2 — CID 57117237

IUPACN-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCN(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyDQEATZFBFGNZQI-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.40
Rot. Bonds5

About N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine

N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine (PubChem CID 57117237) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
PubChem CID57117237
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCN(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyDQEATZFBFGNZQI-UHFFFAOYSA-N
XLogP4.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine (CID 57117237) is N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine is CC(C)CCN(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine?
The InChIKey is DQEATZFBFGNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine?
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine has a molecular weight of 258.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 57117237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).