4-(2-aminooctyl)phenol

C14H23NO — CID 69403996

IUPAC4-(2-aminooctyl)phenol
SMILESCCCCCCC(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-13(15)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11,15H2,1H3
InChIKeyFOLYTESNSJLFCA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds7

About 4-(2-aminooctyl)phenol

4-(2-aminooctyl)phenol (PubChem CID 69403996) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2-aminooctyl)phenol.

Molecular Properties

Compound Name4-(2-aminooctyl)phenol
PubChem CID69403996
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2-aminooctyl)phenol
SMILESCCCCCCC(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-13(15)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11,15H2,1H3
InChIKeyFOLYTESNSJLFCA-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
CID 118735813
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
4-(2-butyltetradecyl)phenol
CID 70630098
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
4-[2-[1-(4-hydroxyphenyl)dodecan-2-ylsulfanyl]dodecyl]phenol
CID 21440314
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
4-(2-butylheptyl)phenol
CID 118370129
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(4-propylphenyl)hexan-2-amine
CID 82255234

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooctyl)phenol?
The IUPAC name of 4-(2-aminooctyl)phenol (CID 69403996) is 4-(2-aminooctyl)phenol.
What is the SMILES notation for 4-(2-aminooctyl)phenol?
The canonical SMILES for 4-(2-aminooctyl)phenol is CCCCCCC(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminooctyl)phenol?
The InChIKey is FOLYTESNSJLFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-13(15)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11,15H2,1H3.
What are the key properties of 4-(2-aminooctyl)phenol?
4-(2-aminooctyl)phenol has a molecular weight of 221.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminooctyl)phenol is sourced from PubChem (CID 69403996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).