2-amino-2-(2-fluoro-4-nonylphenyl)ethanol

C17H28FNO — CID 15007754

IUPAC2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
SMILESCCCCCCCCCc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C17H28FNO/c1-2-3-4-5-6-7-8-9-14-10-11-15(16(18)12-14)17(19)13-20/h10-12,17,20H,2-9,13,19H2,1H3
InChIKeyQQTJAPGDEVQUEV-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.11
Rot. Bonds10

About 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol

2-amino-2-(2-fluoro-4-nonylphenyl)ethanol (PubChem CID 15007754) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
PubChem CID15007754
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
SMILESCCCCCCCCCc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C17H28FNO/c1-2-3-4-5-6-7-8-9-14-10-11-15(16(18)12-14)17(19)13-20/h10-12,17,20H,2-9,13,19H2,1H3
InChIKeyQQTJAPGDEVQUEV-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.11
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-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-fluoro-4-pentylaniline
CID 146198864
(3-fluoro-4-nonylphenyl)methanol
CID 174919502
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-fluoro-4-nonylbenzoic acid
CID 57292315
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
(2-fluoro-4-pentylphenyl)boronic acid
CID 54278063
1-(difluoromethylsulfanyl)-2-fluoro-4-nonylbenzene
CID 54345101
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol (CID 15007754) is 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol is CCCCCCCCCc1ccc(C(N)CO)c(F)c1.
What is the InChIKey of 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol?
The InChIKey is QQTJAPGDEVQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-2-3-4-5-6-7-8-9-14-10-11-15(16(18)12-14)17(19)13-20/h10-12,17,20H,2-9,13,19H2,1H3.
What are the key properties of 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol?
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol has a molecular weight of 281.42 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-nonylphenyl)ethanol is sourced from PubChem (CID 15007754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).