8-[4-(aminomethyl)phenoxy]octan-1-ol

C15H25NO2 — CID 71278332

IUPAC8-[4-(aminomethyl)phenoxy]octan-1-ol
SMILESNCc1ccc(OCCCCCCCCO)cc1
InChIInChI=1S/C15H25NO2/c16-13-14-7-9-15(10-8-14)18-12-6-4-2-1-3-5-11-17/h7-10,17H,1-6,11-13,16H2
InChIKeyRVGUZOIJEOMZCL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.86
Rot. Bonds10

About 8-[4-(aminomethyl)phenoxy]octan-1-ol

8-[4-(aminomethyl)phenoxy]octan-1-ol (PubChem CID 71278332) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-[4-(aminomethyl)phenoxy]octan-1-ol.

Molecular Properties

Compound Name8-[4-(aminomethyl)phenoxy]octan-1-ol
PubChem CID71278332
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name8-[4-(aminomethyl)phenoxy]octan-1-ol
SMILESNCc1ccc(OCCCCCCCCO)cc1
InChIInChI=1S/C15H25NO2/c16-13-14-7-9-15(10-8-14)18-12-6-4-2-1-3-5-11-17/h7-10,17H,1-6,11-13,16H2
InChIKeyRVGUZOIJEOMZCL-UHFFFAOYSA-N
XLogP2.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
(4-decoxyphenyl)methanamine
CID 55187501
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
6-[[4-(2-hydroxyethoxy)phenyl]methoxy]hexan-1-ol
CID 126733127
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500

Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)phenoxy]octan-1-ol?
The IUPAC name of 8-[4-(aminomethyl)phenoxy]octan-1-ol (CID 71278332) is 8-[4-(aminomethyl)phenoxy]octan-1-ol.
What is the SMILES notation for 8-[4-(aminomethyl)phenoxy]octan-1-ol?
The canonical SMILES for 8-[4-(aminomethyl)phenoxy]octan-1-ol is NCc1ccc(OCCCCCCCCO)cc1.
What is the InChIKey of 8-[4-(aminomethyl)phenoxy]octan-1-ol?
The InChIKey is RVGUZOIJEOMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c16-13-14-7-9-15(10-8-14)18-12-6-4-2-1-3-5-11-17/h7-10,17H,1-6,11-13,16H2.
What are the key properties of 8-[4-(aminomethyl)phenoxy]octan-1-ol?
8-[4-(aminomethyl)phenoxy]octan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(aminomethyl)phenoxy]octan-1-ol is sourced from PubChem (CID 71278332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).