[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine

C14H23NO2 — CID 117052036

IUPAC[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC(C)C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(14(2,3)4)17-13-11(9-15)7-6-8-12(13)16-5/h6-8,10H,9,15H2,1-5H3
InChIKeyZBQPWSNBVMTBRQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.97
Rot. Bonds4

About [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine

[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine (PubChem CID 117052036) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
PubChem CID117052036
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC(C)C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(14(2,3)4)17-13-11(9-15)7-6-8-12(13)16-5/h6-8,10H,9,15H2,1-5H3
InChIKeyZBQPWSNBVMTBRQ-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
(2,3-dimethoxyphenyl)methanamine;5,5-dimethylhexanoic acid
CID 167496510
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine (CID 117052036) is [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OC(C)C(C)(C)C.
What is the InChIKey of [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine?
The InChIKey is ZBQPWSNBVMTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(14(2,3)4)17-13-11(9-15)7-6-8-12(13)16-5/h6-8,10H,9,15H2,1-5H3.
What are the key properties of [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine?
[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 117052036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).