2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol

C15H23NO2 — CID 103093629

IUPAC2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
SMILESCCCNC(C)/C(C)=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C15H23NO2/c1-5-8-16-12(3)11(2)9-13-6-7-15(18-4)14(17)10-13/h6-7,9-10,12,16-17H,5,8H2,1-4H3/b11-9+
InChIKeyQDXBZHGLKOLXFX-PKNBQFBNSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds6

About 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol

2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol (PubChem CID 103093629) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
PubChem CID103093629
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
SMILESCCCNC(C)/C(C)=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C15H23NO2/c1-5-8-16-12(3)11(2)9-13-6-7-15(18-4)14(17)10-13/h6-7,9-10,12,16-17H,5,8H2,1-4H3/b11-9+
InChIKeyQDXBZHGLKOLXFX-PKNBQFBNSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093699
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
5-but-1-enyl-2-methoxyphenol
CID 154188368
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
CID 103093396
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol (CID 103093629) is 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol is CCCNC(C)/C(C)=C/c1ccc(OC)c(O)c1.
What is the InChIKey of 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol?
The InChIKey is QDXBZHGLKOLXFX-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-8-16-12(3)11(2)9-13-6-7-15(18-4)14(17)10-13/h6-7,9-10,12,16-17H,5,8H2,1-4H3/b11-9+.
What are the key properties of 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol?
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol is sourced from PubChem (CID 103093629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).