4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine

C13H21NO3 — CID 28917828

IUPAC4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
SMILESCOc1cccc(OC)c1OCCC(C)(C)N
InChIInChI=1S/C13H21NO3/c1-13(2,14)8-9-17-12-10(15-3)6-5-7-11(12)16-4/h5-7H,8-9,14H2,1-4H3
InChIKeyNZTIVSDTOBEUDD-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.21
Rot. Bonds6

About 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine

4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine (PubChem CID 28917828) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
PubChem CID28917828
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
SMILESCOc1cccc(OC)c1OCCC(C)(C)N
InChIInChI=1S/C13H21NO3/c1-13(2,14)8-9-17-12-10(15-3)6-5-7-11(12)16-4/h5-7H,8-9,14H2,1-4H3
InChIKeyNZTIVSDTOBEUDD-UHFFFAOYSA-N
XLogP2.21
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethoxyphenoxy)-2,2-dimethylbutanethioamide
CID 65249307
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
CID 106810424
4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64803042
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64567950
3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
CID 107391518
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 62570987

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine (CID 28917828) is 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine is COc1cccc(OC)c1OCCC(C)(C)N.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine?
The InChIKey is NZTIVSDTOBEUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,14)8-9-17-12-10(15-3)6-5-7-11(12)16-4/h5-7H,8-9,14H2,1-4H3.
What are the key properties of 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine?
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine is sourced from PubChem (CID 28917828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).