1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine

C19H31NO — CID 63914429

IUPAC1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
SMILESCC(C)(C)c1ccc(OCC(N)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)14-9-10-17(15(11-14)19(4,5)6)21-12-16(20)13-7-8-13/h9-11,13,16H,7-8,12,20H2,1-6H3
InChIKeyOAGNWTFAHYINLF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.40
Rot. Bonds4

About 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine

1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine (PubChem CID 63914429) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
PubChem CID63914429
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
SMILESCC(C)(C)c1ccc(OCC(N)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)14-9-10-17(15(11-14)19(4,5)6)21-12-16(20)13-7-8-13/h9-11,13,16H,7-8,12,20H2,1-6H3
InChIKeyOAGNWTFAHYINLF-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
CID 63473970
1-(2,4-ditert-butylphenoxy)pentan-2-ol
CID 63470439
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine (CID 63914429) is 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine is CC(C)(C)c1ccc(OCC(N)C2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine?
The InChIKey is OAGNWTFAHYINLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)14-9-10-17(15(11-14)19(4,5)6)21-12-16(20)13-7-8-13/h9-11,13,16H,7-8,12,20H2,1-6H3.
What are the key properties of 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine?
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine is sourced from PubChem (CID 63914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).