3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol

C12H19NO3 — CID 174673991

IUPAC3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
SMILESCOCCCOc1cc(O)cc(CCN)c1
InChIInChI=1S/C12H19NO3/c1-15-5-2-6-16-12-8-10(3-4-13)7-11(14)9-12/h7-9,14H,2-6,13H2,1H3
InChIKeyZUBLNLXWQAJUBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds7

About 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol

3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol (PubChem CID 174673991) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
PubChem CID174673991
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
SMILESCOCCCOc1cc(O)cc(CCN)c1
InChIInChI=1S/C12H19NO3/c1-15-5-2-6-16-12-8-10(3-4-13)7-11(14)9-12/h7-9,14H,2-6,13H2,1H3
InChIKeyZUBLNLXWQAJUBT-UHFFFAOYSA-N
XLogP1.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411599
5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
CID 59939789
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
3-(3-chloropropoxy)-5-ethylphenol
CID 142783506
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
3-butyl-5-methoxyphenol
CID 12836529
(3-butoxy-5-hydroxyphenyl)methyl acetate
CID 150583952
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
3-ethoxy-5-octadecylphenol
CID 118876083
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol?
The IUPAC name of 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol (CID 174673991) is 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol?
The canonical SMILES for 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol is COCCCOc1cc(O)cc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol?
The InChIKey is ZUBLNLXWQAJUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-5-2-6-16-12-8-10(3-4-13)7-11(14)9-12/h7-9,14H,2-6,13H2,1H3.
What are the key properties of 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol?
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol has a molecular weight of 225.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol is sourced from PubChem (CID 174673991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).