1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine

C14H23NO3 — CID 116810773

IUPAC1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-5-10(18-6-2)14(15)13-11(16-3)8-7-9-12(13)17-4/h7-10,14H,5-6,15H2,1-4H3
InChIKeyRJENYWZZDDCPOE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.52
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine

1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine (PubChem CID 116810773) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
PubChem CID116810773
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-5-10(18-6-2)14(15)13-11(16-3)8-7-9-12(13)17-4/h7-10,14H,5-6,15H2,1-4H3
InChIKeyRJENYWZZDDCPOE-UHFFFAOYSA-N
XLogP2.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
CID 116716256
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
ethyl (3R)-3-amino-3-(2,6-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171240018
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
ethyl 4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 69085588
ethyl (2S,4S)-4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 129395371

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine (CID 116810773) is 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine is CCOC(CC)C(N)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine?
The InChIKey is RJENYWZZDDCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-10(18-6-2)14(15)13-11(16-3)8-7-9-12(13)17-4/h7-10,14H,5-6,15H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine?
1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 116810773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).