1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine

C14H23NO2 — CID 116810333

IUPAC1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1c(OC)cccc1OC)C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)13(15-4)12-10(16-5)8-7-9-11(12)17-6/h7-9,13,15H,1-6H3
InChIKeyPAVITICQQZMECP-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine

1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 116810333) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID116810333
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1c(OC)cccc1OC)C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)13(15-4)12-10(16-5)8-7-9-11(12)17-6/h7-9,13,15H,1-6H3
InChIKeyPAVITICQQZMECP-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854343
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171261410
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 116810595
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 116810333) is 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1c(OC)cccc1OC)C(C)(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is PAVITICQQZMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)13(15-4)12-10(16-5)8-7-9-11(12)17-6/h7-9,13,15H,1-6H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 116810333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).