5-(2-amino-5-methoxyphenoxy)pentan-1-ol

C12H19NO3 — CID 102702306

IUPAC5-(2-amino-5-methoxyphenoxy)pentan-1-ol
SMILESCOc1ccc(N)c(OCCCCCO)c1
InChIInChI=1S/C12H19NO3/c1-15-10-5-6-11(13)12(9-10)16-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyXLYSLDHTBZKKJQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds7

About 5-(2-amino-5-methoxyphenoxy)pentan-1-ol

5-(2-amino-5-methoxyphenoxy)pentan-1-ol (PubChem CID 102702306) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(2-amino-5-methoxyphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-5-methoxyphenoxy)pentan-1-ol
PubChem CID102702306
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-(2-amino-5-methoxyphenoxy)pentan-1-ol
SMILESCOc1ccc(N)c(OCCCCCO)c1
InChIInChI=1S/C12H19NO3/c1-15-10-5-6-11(13)12(9-10)16-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyXLYSLDHTBZKKJQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
4-methoxy-2-(4,4,4-trifluorobutoxy)aniline
CID 82788711
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
4-octoxy-2-propoxyaniline
CID 63676334
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
5-methoxy-2-nonoxyaniline
CID 43128995
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methoxyphenoxy)pentan-1-ol?
The IUPAC name of 5-(2-amino-5-methoxyphenoxy)pentan-1-ol (CID 102702306) is 5-(2-amino-5-methoxyphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-amino-5-methoxyphenoxy)pentan-1-ol?
The canonical SMILES for 5-(2-amino-5-methoxyphenoxy)pentan-1-ol is COc1ccc(N)c(OCCCCCO)c1.
What is the InChIKey of 5-(2-amino-5-methoxyphenoxy)pentan-1-ol?
The InChIKey is XLYSLDHTBZKKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-10-5-6-11(13)12(9-10)16-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3.
What are the key properties of 5-(2-amino-5-methoxyphenoxy)pentan-1-ol?
5-(2-amino-5-methoxyphenoxy)pentan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methoxyphenoxy)pentan-1-ol is sourced from PubChem (CID 102702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).