(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

C16H25NO2 — CID 103093699

IUPAC(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO2/c1-6-9-17-13(3)12(2)10-14-7-8-15(18-4)11-16(14)19-5/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10+
InChIKeyRIWBCYNPOQDVRD-ZRDIBKRKSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds7

About (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093699) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093699
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO2/c1-6-9-17-13(3)12(2)10-14-7-8-15(18-4)11-16(14)19-5/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10+
InChIKeyRIWBCYNPOQDVRD-ZRDIBKRKSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(3-bromo-2-methylprop-1-enyl)-2,4-dimethoxybenzene
CID 79322600
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
CID 103093396
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
2-[(2,4-dimethoxyphenyl)methylidene]-3-methylbutanal
CID 79016965
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093699) is (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc(OC)cc1OC.
What is the InChIKey of (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is RIWBCYNPOQDVRD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-9-17-13(3)12(2)10-14-7-8-15(18-4)11-16(14)19-5/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10+.
What are the key properties of (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).