4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline

C22H24N2O — CID 118954610

IUPAC4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline
SMILESCC[C@@H](C)c1ccc(N(C)c2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-4-17(2)18-8-10-19(11-9-18)24(3)20-12-14-21(15-13-20)25-22-7-5-6-16-23-22/h5-17H,4H2,1-3H3/t17-/m1/s1
InChIKeyKLNBUGGPIRDYLM-QGZVFWFLSA-N
MW332.45 g/mol
LogP6.16
Rot. Bonds6

About 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline

4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline (PubChem CID 118954610) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline
PubChem CID118954610
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline
SMILESCC[C@@H](C)c1ccc(N(C)c2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-4-17(2)18-8-10-19(11-9-18)24(3)20-12-14-21(15-13-20)25-22-7-5-6-16-23-22/h5-17H,4H2,1-3H3/t17-/m1/s1
InChIKeyKLNBUGGPIRDYLM-QGZVFWFLSA-N
XLogP6.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N,N,2-trimethyl-1-(4-pyridin-2-yloxyphenyl)propan-1-amine
CID 118928757
(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine
CID 130466001
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
CID 118954660
ethane;2-phenoxypyridine
CID 90835857
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
CID 107669557
N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
CID 118954586
[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 107667536
2-(4-hydroxyphenyl)-N-methyl-N-(4-pyridin-2-yloxyphenyl)acetamide
CID 84588554
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline?
The IUPAC name of 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline (CID 118954610) is 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline?
The canonical SMILES for 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline is CC[C@@H](C)c1ccc(N(C)c2ccc(Oc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline?
The InChIKey is KLNBUGGPIRDYLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-17(2)18-8-10-19(11-9-18)24(3)20-12-14-21(15-13-20)25-22-7-5-6-16-23-22/h5-17H,4H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline?
4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline has a molecular weight of 332.45 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline is sourced from PubChem (CID 118954610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).