(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine

C19H25FN2O — CID 118429713

IUPAC(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H25FN2O/c1-13(2)11-19(4,21)12-23-18-6-5-15(10-17(18)20)16-7-8-22-14(3)9-16/h5-10,13H,11-12,21H2,1-4H3/t19-/m0/s1
InChIKeyYQIQWANGWUKJKT-IBGZPJMESA-N
MW316.42 g/mol
LogP4.34
Rot. Bonds6

About (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine

(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429713) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
PubChem CID118429713
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H25FN2O/c1-13(2)11-19(4,21)12-23-18-6-5-15(10-17(18)20)16-7-8-22-14(3)9-16/h5-10,13H,11-12,21H2,1-4H3/t19-/m0/s1
InChIKeyYQIQWANGWUKJKT-IBGZPJMESA-N
XLogP4.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine (CID 118429713) is (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1.
What is the InChIKey of (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is YQIQWANGWUKJKT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN2O/c1-13(2)11-19(4,21)12-23-18-6-5-15(10-17(18)20)16-7-8-22-14(3)9-16/h5-10,13H,11-12,21H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 316.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).