1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine

C16H25NO — CID 67800851

IUPAC1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine
SMILESC=CCc1ccc(OCC(C)N)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-6-7-13-8-9-15(18-11-12(2)17)14(10-13)16(3,4)5/h6,8-10,12H,1,7,11,17H2,2-5H3
InChIKeyLAWYDAHCZVYTIQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine

1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine (PubChem CID 67800851) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine
PubChem CID67800851
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine
SMILESC=CCc1ccc(OCC(C)N)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-6-7-13-8-9-15(18-11-12(2)17)14(10-13)16(3,4)5/h6,8-10,12H,1,7,11,17H2,2-5H3
InChIKeyLAWYDAHCZVYTIQ-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
CID 83934607
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-tert-butyl-4-[(Z)-2-methylhex-3-enyl]-1-(2-methylpropoxy)benzene
CID 83934613
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
CID 54849719

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine?
The IUPAC name of 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine (CID 67800851) is 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine?
The canonical SMILES for 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine is C=CCc1ccc(OCC(C)N)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine?
The InChIKey is LAWYDAHCZVYTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-7-13-8-9-15(18-11-12(2)17)14(10-13)16(3,4)5/h6,8-10,12H,1,7,11,17H2,2-5H3.
What are the key properties of 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine?
1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine is sourced from PubChem (CID 67800851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).