N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine

C14H21NO — CID 63640648

IUPACN-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1cc(C)ccc1C(C)NCC
InChIInChI=1S/C14H21NO/c1-5-9-16-14-10-11(3)7-8-13(14)12(4)15-6-2/h5,7-8,10,12,15H,1,6,9H2,2-4H3
InChIKeyVEJNHRZYKBUNBR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine

N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine (PubChem CID 63640648) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
PubChem CID63640648
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1cc(C)ccc1C(C)NCC
InChIInChI=1S/C14H21NO/c1-5-9-16-14-10-11(3)7-8-13(14)12(4)15-6-2/h5,7-8,10,12,15H,1,6,9H2,2-4H3
InChIKeyVEJNHRZYKBUNBR-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
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-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine (CID 63640648) is N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine is C=CCOc1cc(C)ccc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine?
The InChIKey is VEJNHRZYKBUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-9-16-14-10-11(3)7-8-13(14)12(4)15-6-2/h5,7-8,10,12,15H,1,6,9H2,2-4H3.
What are the key properties of N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine?
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 63640648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).