1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine

C12H17NO2 — CID 105005449

IUPAC1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C12H17NO2/c1-8(2)12(13)10-6-5-9(14-3)7-11(10)15-4/h5-7,12H,1,13H2,2-4H3
InChIKeyNLYNJTAONALZMC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine

1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 105005449) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID105005449
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C12H17NO2/c1-8(2)12(13)10-6-5-9(14-3)7-11(10)15-4/h5-7,12H,1,13H2,2-4H3
InChIKeyNLYNJTAONALZMC-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
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

1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine (CID 105005449) is 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is NLYNJTAONALZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12(13)10-6-5-9(14-3)7-11(10)15-4/h5-7,12H,1,13H2,2-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine?
1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 207.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).