1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine

C16H25NO — CID 105039267

IUPAC1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,16-17H,3,5-7,12H2,1-2,4H3
InChIKeyMZHQAODBQUUKPG-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 105039267) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID105039267
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,16-17H,3,5-7,12H2,1-2,4H3
InChIKeyMZHQAODBQUUKPG-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.09
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

N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 105039267) is 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is MZHQAODBQUUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,16-17H,3,5-7,12H2,1-2,4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).