1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol

C14H13ClFNO2 — CID 63877954

IUPAC1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
SMILESNc1ccc(C(O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO2/c15-12-7-11(5-6-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7,14,18H,8,17H2
InChIKeyROPQEVKVJSSBBT-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol

1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol (PubChem CID 63877954) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
PubChem CID63877954
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
SMILESNc1ccc(C(O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO2/c15-12-7-11(5-6-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7,14,18H,8,17H2
InChIKeyROPQEVKVJSSBBT-UHFFFAOYSA-N
XLogP3.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
CID 64601162
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
2-(4-aminophenoxy)-1-(2-chloro-4,5-dimethoxyphenyl)ethanol
CID 46307228
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol (CID 63877954) is 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol is Nc1ccc(C(O)COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol?
The InChIKey is ROPQEVKVJSSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c15-12-7-11(5-6-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7,14,18H,8,17H2.
What are the key properties of 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol?
1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol has a molecular weight of 281.71 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol is sourced from PubChem (CID 63877954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).