N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline

C12H17NO — CID 153362594

IUPACN-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
SMILESC=C(C)OCc1ccc(NCC)cc1
InChIInChI=1S/C12H17NO/c1-4-13-12-7-5-11(6-8-12)9-14-10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyYNKUHJADOGBEHB-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline

N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline (PubChem CID 153362594) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
PubChem CID153362594
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
SMILESC=C(C)OCc1ccc(NCC)cc1
InChIInChI=1S/C12H17NO/c1-4-13-12-7-5-11(6-8-12)9-14-10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyYNKUHJADOGBEHB-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
[4-(ethylamino)phenyl]methyl hypoiodite
CID 129098475
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
CID 145302198
N,4-diethylaniline
CID 6429431
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356
N-ethyl-4-[1-[4-(ethylamino)phenyl]-2-methylprop-1-enyl]aniline
CID 21400955
(4-hydrazinylphenyl)methyl acetate
CID 123892480
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
[4-(ethylamino)phenyl] acetate
CID 15120452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline?
The IUPAC name of N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline (CID 153362594) is N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline.
What is the SMILES notation for N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline?
The canonical SMILES for N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline is C=C(C)OCc1ccc(NCC)cc1.
What is the InChIKey of N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline?
The InChIKey is YNKUHJADOGBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13-12-7-5-11(6-8-12)9-14-10(2)3/h5-8,13H,2,4,9H2,1,3H3.
What are the key properties of N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline?
N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline has a molecular weight of 191.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline is sourced from PubChem (CID 153362594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).