3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C20H28N2O — CID 146089357

IUPAC3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H28N2O/c1-20(2,3)18-10-7-16(8-11-18)17-9-12-19(21-15-17)23-14-6-13-22(4)5/h7-12,15H,6,13-14H2,1-5H3
InChIKeyKAIAGPOWOYOURN-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.38
Rot. Bonds6

About 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 146089357) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID146089357
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H28N2O/c1-20(2,3)18-10-7-16(8-11-18)17-9-12-19(21-15-17)23-14-6-13-22(4)5/h7-12,15H,6,13-14H2,1-5H3
InChIKeyKAIAGPOWOYOURN-UHFFFAOYSA-N
XLogP4.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
CID 126469961
N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
CID 126470020
CID 123144358
CID 123144358
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
5-(4-ethylphenyl)-2-pentoxypyridine
CID 138716515
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 146357152
N,N-dimethyl-3-[[5-(9-phenylmethoxypyrido[1,2-a]benzimidazol-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 142413732
5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285816
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 146089357) is 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is KAIAGPOWOYOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-20(2,3)18-10-7-16(8-11-18)17-9-12-19(21-15-17)23-14-6-13-22(4)5/h7-12,15H,6,13-14H2,1-5H3.
What are the key properties of 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 312.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 146089357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).