1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine

C15H23NO2 — CID 79179584

IUPAC1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(OC)c(OC)c1)NC
InChIInChI=1S/C15H23NO2/c1-11(2)8-13(16-3)9-12-6-7-14(17-4)15(10-12)18-5/h6-7,10,13,16H,1,8-9H2,2-5H3
InChIKeyAIHWZHQNHHZQFI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.80
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine

1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 79179584) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID79179584
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(OC)c(OC)c1)NC
InChIInChI=1S/C15H23NO2/c1-11(2)8-13(16-3)9-12-6-7-14(17-4)15(10-12)18-5/h6-7,10,13,16H,1,8-9H2,2-5H3
InChIKeyAIHWZHQNHHZQFI-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.80
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

1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474287
[1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105203952
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63192132
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
methyl 4-(3,4-dimethoxyphenyl)-3-(prop-2-enylamino)butanoate
CID 82351430

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine (CID 79179584) is 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(Cc1ccc(OC)c(OC)c1)NC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is AIHWZHQNHHZQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)8-13(16-3)9-12-6-7-14(17-4)15(10-12)18-5/h6-7,10,13,16H,1,8-9H2,2-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine?
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.80, 7 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,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 79179584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).