4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol

C13H21NO3 — CID 113398869

IUPAC4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
SMILESCOc1ccc(C(C)N)c(OCCC(C)O)c1
InChIInChI=1S/C13H21NO3/c1-9(15)6-7-17-13-8-11(16-3)4-5-12(13)10(2)14/h4-5,8-10,15H,6-7,14H2,1-3H3
InChIKeyHCCMBMGMMZVVLN-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.86
Rot. Bonds6

About 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol

4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol (PubChem CID 113398869) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
PubChem CID113398869
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
SMILESCOc1ccc(C(C)N)c(OCCC(C)O)c1
InChIInChI=1S/C13H21NO3/c1-9(15)6-7-17-13-8-11(16-3)4-5-12(13)10(2)14/h4-5,8-10,15H,6-7,14H2,1-3H3
InChIKeyHCCMBMGMMZVVLN-UHFFFAOYSA-N
XLogP1.86
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol?
The IUPAC name of 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol (CID 113398869) is 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol.
What is the SMILES notation for 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol?
The canonical SMILES for 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol is COc1ccc(C(C)N)c(OCCC(C)O)c1.
What is the InChIKey of 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol?
The InChIKey is HCCMBMGMMZVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(15)6-7-17-13-8-11(16-3)4-5-12(13)10(2)14/h4-5,8-10,15H,6-7,14H2,1-3H3.
What are the key properties of 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol?
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol is sourced from PubChem (CID 113398869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).