2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine

C20H28N2O — CID 83974993

IUPAC2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccn1
InChIInChI=1S/C20H28N2O/c1-5-23-19-10-9-16(20(2,3)4)13-18(19)15(14-21)12-17-8-6-7-11-22-17/h6-11,13,15H,5,12,14,21H2,1-4H3
InChIKeyQOXMAZHQQHSXQR-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.06
Rot. Bonds6

About 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine

2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 83974993) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
PubChem CID83974993
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccn1
InChIInChI=1S/C20H28N2O/c1-5-23-19-10-9-16(20(2,3)4)13-18(19)15(14-21)12-17-8-6-7-11-22-17/h6-11,13,15H,5,12,14,21H2,1-4H3
InChIKeyQOXMAZHQQHSXQR-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 83974992
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 112539017
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 83976850

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine (CID 83974993) is 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine is CCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccccn1.
What is the InChIKey of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is QOXMAZHQQHSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-23-19-10-9-16(20(2,3)4)13-18(19)15(14-21)12-17-8-6-7-11-22-17/h6-11,13,15H,5,12,14,21H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 312.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83974993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).