3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine

C14H23NO2 — CID 116835584

IUPAC3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
SMILESCOCC(CN)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-10(2)11-5-6-14(17-4)13(7-11)12(8-15)9-16-3/h5-7,10,12H,8-9,15H2,1-4H3
InChIKeyYCMGBUWLRIABLO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds6

About 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine

3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine (PubChem CID 116835584) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
PubChem CID116835584
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
SMILESCOCC(CN)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-10(2)11-5-6-14(17-4)13(7-11)12(8-15)9-16-3/h5-7,10,12H,8-9,15H2,1-4H3
InChIKeyYCMGBUWLRIABLO-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112508878
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-(2-methoxy-5-propan-2-ylphenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140023
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine (CID 116835584) is 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine is COCC(CN)c1cc(C(C)C)ccc1OC.
What is the InChIKey of 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine?
The InChIKey is YCMGBUWLRIABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)11-5-6-14(17-4)13(7-11)12(8-15)9-16-3/h5-7,10,12H,8-9,15H2,1-4H3.
What are the key properties of 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine?
3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 116835584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).