methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine

C12H19NO2 — CID 116947253

IUPACmethoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(C)C)cc1C(N)OC
InChIInChI=1S/C12H19NO2/c1-8(2)9-5-6-11(14-3)10(7-9)12(13)15-4/h5-8,12H,13H2,1-4H3
InChIKeyPUTIWBCYDAJYSB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.42
Rot. Bonds4

About methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine

methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine (PubChem CID 116947253) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Namemethoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
PubChem CID116947253
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(C)C)cc1C(N)OC
InChIInChI=1S/C12H19NO2/c1-8(2)9-5-6-11(14-3)10(7-9)12(13)15-4/h5-8,12H,13H2,1-4H3
InChIKeyPUTIWBCYDAJYSB-UHFFFAOYSA-N
XLogP2.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
CID 116939012
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
(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
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The IUPAC name of methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine (CID 116947253) is methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine is COc1ccc(C(C)C)cc1C(N)OC.
What is the InChIKey of methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The InChIKey is PUTIWBCYDAJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)9-5-6-11(14-3)10(7-9)12(13)15-4/h5-8,12H,13H2,1-4H3.
What are the key properties of methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine?
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116947253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).