1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine

C16H25NO2 — CID 104986857

IUPAC1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-5-7-8-9-16(17-6-2)13-10-14(18-3)12-15(11-13)19-4/h5,10-12,16-17H,1,6-9H2,2-4H3
InChIKeyCEOASZJYYXIGGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.71
Rot. Bonds9

About 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine

1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine (PubChem CID 104986857) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
PubChem CID104986857
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-5-7-8-9-16(17-6-2)13-10-14(18-3)12-15(11-13)19-4/h5,10-12,16-17H,1,6-9H2,2-4H3
InChIKeyCEOASZJYYXIGGL-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
1-(3,5-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107975611
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-en-1-amine
CID 104987151
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
[1-(3,5-dimethoxyphenyl)-4-ethoxybutyl]hydrazine
CID 105323895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine (CID 104986857) is 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine is C=CCCCC(NCC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine?
The InChIKey is CEOASZJYYXIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-8-9-16(17-6-2)13-10-14(18-3)12-15(11-13)19-4/h5,10-12,16-17H,1,6-9H2,2-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine?
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine is sourced from PubChem (CID 104986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).