1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine

C15H23NO3 — CID 104986654

IUPAC1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H23NO3/c1-5-6-7-8-12(16)11-9-14(18-3)15(19-4)10-13(11)17-2/h5,9-10,12H,1,6-8,16H2,2-4H3
InChIKeyZPKFNJYDUBQEGF-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.07
Rot. Bonds8

About 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine

1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine (PubChem CID 104986654) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine
PubChem CID104986654
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H23NO3/c1-5-6-7-8-12(16)11-9-14(18-3)15(19-4)10-13(11)17-2/h5,9-10,12H,1,6-8,16H2,2-4H3
InChIKeyZPKFNJYDUBQEGF-UHFFFAOYSA-N
XLogP3.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-amine
CID 115849727
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
(1R)-4,4,4-trifluoro-1-(2,4,5-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171199538
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
CID 105289545
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
(1R)-3-methyl-1-(2,4,5-trimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171199552

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine (CID 104986654) is 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine is C=CCCCC(N)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine?
The InChIKey is ZPKFNJYDUBQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-7-8-12(16)11-9-14(18-3)15(19-4)10-13(11)17-2/h5,9-10,12H,1,6-8,16H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine?
1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine has a molecular weight of 265.35 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine is sourced from PubChem (CID 104986654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).