2-(4-tert-butylphenoxy)-1-cyclopropylethanamine

C15H23NO — CID 63914876

IUPAC2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
SMILESCC(C)(C)c1ccc(OCC(N)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-6-8-13(9-7-12)17-10-14(16)11-4-5-11/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyIFJFNLCBYSDDAK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine

2-(4-tert-butylphenoxy)-1-cyclopropylethanamine (PubChem CID 63914876) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
PubChem CID63914876
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
SMILESCC(C)(C)c1ccc(OCC(N)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-6-8-13(9-7-12)17-10-14(16)11-4-5-11/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyIFJFNLCBYSDDAK-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(thian-4-yl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117238883
2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine (CID 63914876) is 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine is CC(C)(C)c1ccc(OCC(N)C2CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine?
The InChIKey is IFJFNLCBYSDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)12-6-8-13(9-7-12)17-10-14(16)11-4-5-11/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine?
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-cyclopropylethanamine is sourced from PubChem (CID 63914876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).