N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

C14H21NO2 — CID 102551497

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-11(3)13-7-6-12(16-4)8-14(13)17-5/h6-8,11,15H,1,9H2,2-5H3
InChIKeyDWVFLHKENQMTHZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 102551497) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID102551497
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-11(3)13-7-6-12(16-4)8-14(13)17-5/h6-8,11,15H,1,9H2,2-5H3
InChIKeyDWVFLHKENQMTHZ-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
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

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97334215
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (CID 102551497) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is DWVFLHKENQMTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-15-11(3)13-7-6-12(16-4)8-14(13)17-5/h6-8,11,15H,1,9H2,2-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 102551497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).