1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine

C14H23NO2 — CID 54930560

IUPAC1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-5-12(15)8-11-9-13(16-4)6-7-14(11)17-10(2)3/h6-7,9-10,12H,5,8,15H2,1-4H3
InChIKeyAZUYGBYLXVNGGJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds6

About 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine

1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine (PubChem CID 54930560) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
PubChem CID54930560
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-5-12(15)8-11-9-13(16-4)6-7-14(11)17-10(2)3/h6-7,9-10,12H,5,8,15H2,1-4H3
InChIKeyAZUYGBYLXVNGGJ-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
CID 63563631
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[2-(1,1-dioxothiolan-3-yl)oxy-5-methoxyphenyl]butan-2-amine
CID 61057800
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine?
The IUPAC name of 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine (CID 54930560) is 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine?
The canonical SMILES for 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine is CCC(N)Cc1cc(OC)ccc1OC(C)C.
What is the InChIKey of 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine?
The InChIKey is AZUYGBYLXVNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(15)8-11-9-13(16-4)6-7-14(11)17-10(2)3/h6-7,9-10,12H,5,8,15H2,1-4H3.
What are the key properties of 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine?
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine is sourced from PubChem (CID 54930560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).