1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine

C13H20ClNO2 — CID 104664508

IUPAC1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCCC(C)Oc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-9(2)17-13-10(8-15-3)6-11(14)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyCRRGEBQHMUZTSK-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.25
Rot. Bonds6

About 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine

1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 104664508) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID104664508
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCCC(C)Oc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-9(2)17-13-10(8-15-3)6-11(14)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyCRRGEBQHMUZTSK-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-but-3-en-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664390
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 113438824
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63061825
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 104664493
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine (CID 104664508) is 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine is CCC(C)Oc1c(CNC)cc(Cl)cc1OC.
What is the InChIKey of 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is CRRGEBQHMUZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-5-9(2)17-13-10(8-15-3)6-11(14)7-12(13)16-4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine?
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 257.76 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 104664508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).