3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine

C14H23NO3 — CID 62450721

IUPAC3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1c(OC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-5-15-9-11(2)10-18-14-12(16-3)7-6-8-13(14)17-4/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyJNCLPLFDMXXBET-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds8

About 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine

3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62450721) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
PubChem CID62450721
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1c(OC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-5-15-9-11(2)10-18-14-12(16-3)7-6-8-13(14)17-4/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyJNCLPLFDMXXBET-UHFFFAOYSA-N
XLogP2.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
N-ethyl-2-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 62460664
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
1-(2,6-dimethoxyphenoxy)propan-2-ylhydrazine
CID 112512168
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
3-methoxy-2-(2-methylpentoxy)benzaldehyde
CID 62265011
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
CID 62486582
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine (CID 62450721) is 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)COc1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is JNCLPLFDMXXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-15-9-11(2)10-18-14-12(16-3)7-6-8-13(14)17-4/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine?
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62450721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).