2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine

C16H23NO2 — CID 534065

IUPAC2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO2/c1-5-10-16(12-17,11-6-2)13-8-7-9-14(18-3)15(13)19-4/h5-9H,1-2,10-12,17H2,3-4H3
InChIKeyQCFMXBKYBCDTPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine

2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine (PubChem CID 534065) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine
PubChem CID534065
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO2/c1-5-10-16(12-17,11-6-2)13-8-7-9-14(18-3)15(13)19-4/h5-9H,1-2,10-12,17H2,3-4H3
InChIKeyQCFMXBKYBCDTPS-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
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

2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
CID 105487005
2-ethenoxy-1,3-dimethoxybenzene
CID 66367387
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
propanal;1,2,3-trimethoxybenzene
CID 174975216
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine (CID 534065) is 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine is C=CCC(CN)(CC=C)c1cccc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is QCFMXBKYBCDTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-10-16(12-17,11-6-2)13-8-7-9-14(18-3)15(13)19-4/h5-9H,1-2,10-12,17H2,3-4H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine?
2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 534065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).