2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine

C20H28N2O — CID 83974992

IUPAC2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccncc1
InChIInChI=1S/C20H28N2O/c1-5-23-19-7-6-17(20(2,3)4)13-18(19)16(14-21)12-15-8-10-22-11-9-15/h6-11,13,16H,5,12,14,21H2,1-4H3
InChIKeyKIOHTFOVASNNBQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.06
Rot. Bonds6

About 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine

2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 83974992) 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-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID83974992
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccncc1
InChIInChI=1S/C20H28N2O/c1-5-23-19-7-6-17(20(2,3)4)13-18(19)16(14-21)12-15-8-10-22-11-9-15/h6-11,13,16H,5,12,14,21H2,1-4H3
InChIKeyKIOHTFOVASNNBQ-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-2-ylpropan-1-amine
CID 83974993
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine (CID 83974992) is 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine is CCOc1ccc(C(C)(C)C)cc1C(CN)Cc1ccncc1.
What is the InChIKey of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is KIOHTFOVASNNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-23-19-7-6-17(20(2,3)4)13-18(19)16(14-21)12-15-8-10-22-11-9-15/h6-11,13,16H,5,12,14,21H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-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-4-ylpropan-1-amine is sourced from PubChem (CID 83974992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).