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

C12H19NO2 — CID 62229865

IUPAC5-(5-amino-2-methylphenoxy)pentan-1-ol
SMILESCc1ccc(N)cc1OCCCCCO
InChIInChI=1S/C12H19NO2/c1-10-5-6-11(13)9-12(10)15-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyIVTMPJWXBSTASL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.12
Rot. Bonds6

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

5-(5-amino-2-methylphenoxy)pentan-1-ol (PubChem CID 62229865) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(5-amino-2-methylphenoxy)pentan-1-ol
PubChem CID62229865
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(5-amino-2-methylphenoxy)pentan-1-ol
SMILESCc1ccc(N)cc1OCCCCCO
InChIInChI=1S/C12H19NO2/c1-10-5-6-11(13)9-12(10)15-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyIVTMPJWXBSTASL-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-hexadecoxy-4-methylaniline
CID 57081496
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
5-amino-2-(5-hydroxypentoxy)benzonitrile
CID 62227075
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
CID 39377062

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenoxy)pentan-1-ol?
The IUPAC name of 5-(5-amino-2-methylphenoxy)pentan-1-ol (CID 62229865) is 5-(5-amino-2-methylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(5-amino-2-methylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(5-amino-2-methylphenoxy)pentan-1-ol is Cc1ccc(N)cc1OCCCCCO.
What is the InChIKey of 5-(5-amino-2-methylphenoxy)pentan-1-ol?
The InChIKey is IVTMPJWXBSTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-5-6-11(13)9-12(10)15-8-4-2-3-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3.
What are the key properties of 5-(5-amino-2-methylphenoxy)pentan-1-ol?
5-(5-amino-2-methylphenoxy)pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenoxy)pentan-1-ol is sourced from PubChem (CID 62229865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).