4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol

C18H27NO2 — CID 70522413

IUPAC4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESC=CCN(CC=C)CCOc1cc(C)c(O)cc1C(C)C
InChIInChI=1S/C18H27NO2/c1-6-8-19(9-7-2)10-11-21-18-12-15(5)17(20)13-16(18)14(3)4/h6-7,12-14,20H,1-2,8-11H2,3-5H3
InChIKeyBZFAXKXCBNFQEX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.88
Rot. Bonds9

About 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol

4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol (PubChem CID 70522413) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
PubChem CID70522413
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESC=CCN(CC=C)CCOc1cc(C)c(O)cc1C(C)C
InChIInChI=1S/C18H27NO2/c1-6-8-19(9-7-2)10-11-21-18-12-15(5)17(20)13-16(18)14(3)4/h6-7,12-14,20H,1-2,8-11H2,3-5H3
InChIKeyBZFAXKXCBNFQEX-UHFFFAOYSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
CID 28092
3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-methoxyethyl)amino]methyl]-4-methoxy-2,5,6-trimethylphenol;hydrochloride
CID 22365014
4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
CID 142636108
N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
CID 894966
2-methyl-5-[2-(methylamino)ethoxy]-4-propan-2-ylphenol
CID 70482477
4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
CID 70417038
2-[2-(2,5-dimethylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277521
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 2943852

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol (CID 70522413) is 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol is C=CCN(CC=C)CCOc1cc(C)c(O)cc1C(C)C.
What is the InChIKey of 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol?
The InChIKey is BZFAXKXCBNFQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-8-19(9-7-2)10-11-21-18-12-15(5)17(20)13-16(18)14(3)4/h6-7,12-14,20H,1-2,8-11H2,3-5H3.
What are the key properties of 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol?
4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol has a molecular weight of 289.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 70522413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).