(2-butan-2-yloxy-3-methoxyphenyl)methanamine

C12H19NO2 — CID 43471450

IUPAC(2-butan-2-yloxy-3-methoxyphenyl)methanamine
SMILESCCC(C)Oc1c(CN)cccc1OC
InChIInChI=1S/C12H19NO2/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyXCRFJTAPVQXCHI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds5

About (2-butan-2-yloxy-3-methoxyphenyl)methanamine

(2-butan-2-yloxy-3-methoxyphenyl)methanamine (PubChem CID 43471450) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2-butan-2-yloxy-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yloxy-3-methoxyphenyl)methanamine
PubChem CID43471450
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2-butan-2-yloxy-3-methoxyphenyl)methanamine
SMILESCCC(C)Oc1c(CN)cccc1OC
InChIInChI=1S/C12H19NO2/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyXCRFJTAPVQXCHI-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
CID 117052036
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
CID 125426921
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
(3-methoxy-2-pentan-2-yloxyphenyl)methanol
CID 107892192
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
3-(2,3-dimethoxyphenoxy)butan-1-amine
CID 112508081
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-3-methoxyphenyl)methanamine?
The IUPAC name of (2-butan-2-yloxy-3-methoxyphenyl)methanamine (CID 43471450) is (2-butan-2-yloxy-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-butan-2-yloxy-3-methoxyphenyl)methanamine?
The canonical SMILES for (2-butan-2-yloxy-3-methoxyphenyl)methanamine is CCC(C)Oc1c(CN)cccc1OC.
What is the InChIKey of (2-butan-2-yloxy-3-methoxyphenyl)methanamine?
The InChIKey is XCRFJTAPVQXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of (2-butan-2-yloxy-3-methoxyphenyl)methanamine?
(2-butan-2-yloxy-3-methoxyphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-3-methoxyphenyl)methanamine is sourced from PubChem (CID 43471450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).