N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

C18H27NO — CID 2943852

IUPACN-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H27NO/c1-5-12-19(13-6-2)14-15-20-18-10-8-17(9-11-18)16(4)7-3/h5-6,8-11,16H,1-2,7,12-15H2,3-4H3
InChIKeyJRSJKYFLBAEVLD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds10

About N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 2943852) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID2943852
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H27NO/c1-5-12-19(13-6-2)14-15-20-18-10-8-17(9-11-18)16(4)7-3/h5-6,8-11,16H,1-2,7,12-15H2,3-4H3
InChIKeyJRSJKYFLBAEVLD-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
2-[4-[5-(4-butan-2-ylphenyl)hexan-3-yl]phenoxy]-N-ethyl-N-methylethanamine
CID 58969106
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
3-[4-[5-(4-butan-2-ylphenyl)hexan-3-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 58969107
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 2943852) is N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOc1ccc(C(C)CC)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is JRSJKYFLBAEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-12-19(13-6-2)14-15-20-18-10-8-17(9-11-18)16(4)7-3/h5-6,8-11,16H,1-2,7,12-15H2,3-4H3.
What are the key properties of N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 2943852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).