3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C15H23NO — CID 79338398

IUPAC3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCOc1ccc(C=C(C)CNCC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeyULYWUFGUYARGDZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79338398) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79338398
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCOc1ccc(C=C(C)CNCC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeyULYWUFGUYARGDZ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine
CID 79341385
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
CID 109396186
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79338398) is 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is COc1ccc(C=C(C)CNCC(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is ULYWUFGUYARGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79338398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).