1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine

C17H27NO2 — CID 114474287

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(OC)c(OC)c1)NCC
InChIInChI=1S/C17H27NO2/c1-6-18-15(9-7-13(2)3)11-14-8-10-16(19-4)17(12-14)20-5/h8,10,12,15,18H,2,6-7,9,11H2,1,3-5H3
InChIKeyBXJBPAAFNJJMCU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.58
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine

1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine (PubChem CID 114474287) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
PubChem CID114474287
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(OC)c(OC)c1)NCC
InChIInChI=1S/C17H27NO2/c1-6-18-15(9-7-13(2)3)11-14-8-10-16(19-4)17(12-14)20-5/h8,10,12,15,18H,2,6-7,9,11H2,1,3-5H3
InChIKeyBXJBPAAFNJJMCU-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.58
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

methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
[1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105203952
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
(2E,4E,6R)-7-(3,4-dimethoxyphenyl)-1-(ethylamino)hepta-2,4-diene-1,6-diol
CID 72694813
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
CID 54523687
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105205425

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine (CID 114474287) is 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine is C=C(C)CCC(Cc1ccc(OC)c(OC)c1)NCC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The InChIKey is BXJBPAAFNJJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-15(9-7-13(2)3)11-14-8-10-16(19-4)17(12-14)20-5/h8,10,12,15,18H,2,6-7,9,11H2,1,3-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine?
1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine is sourced from PubChem (CID 114474287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).