2-amino-2-(4-octylphenyl)ethanol

C16H27NO — CID 19881300

IUPAC2-amino-2-(4-octylphenyl)ethanol
SMILESCCCCCCCCc1ccc(C(N)CO)cc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18/h9-12,16,18H,2-8,13,17H2,1H3
InChIKeyPCUXQLBSSGSBKX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds9

About 2-amino-2-(4-octylphenyl)ethanol

2-amino-2-(4-octylphenyl)ethanol (PubChem CID 19881300) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-amino-2-(4-octylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-octylphenyl)ethanol
PubChem CID19881300
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-amino-2-(4-octylphenyl)ethanol
SMILESCCCCCCCCc1ccc(C(N)CO)cc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18/h9-12,16,18H,2-8,13,17H2,1H3
InChIKeyPCUXQLBSSGSBKX-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.58
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

2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
CID 66517020
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
5-amino-5-(4-octylphenyl)pentane-1,3-diol
CID 70232291
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
bis(4-tridecylphenyl)methanol
CID 139673626
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
2-[2-amino-1-(4-octylphenyl)ethyl]propane-1,3-diol
CID 142762392
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
CID 15007754

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-octylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-octylphenyl)ethanol (CID 19881300) is 2-amino-2-(4-octylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-octylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-octylphenyl)ethanol is CCCCCCCCc1ccc(C(N)CO)cc1.
What is the InChIKey of 2-amino-2-(4-octylphenyl)ethanol?
The InChIKey is PCUXQLBSSGSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18/h9-12,16,18H,2-8,13,17H2,1H3.
What are the key properties of 2-amino-2-(4-octylphenyl)ethanol?
2-amino-2-(4-octylphenyl)ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-octylphenyl)ethanol is sourced from PubChem (CID 19881300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).