2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol

C14H14ClFN2O2 — CID 107708483

IUPAC2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
SMILESNc1cc(N)c(Oc2ccc(CCO)cc2)c(F)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c15-12-10(17)7-11(18)14(13(12)16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,17-18H2
InChIKeyXQQZCBQXQJUXMB-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol

2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol (PubChem CID 107708483) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
PubChem CID107708483
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
SMILESNc1cc(N)c(Oc2ccc(CCO)cc2)c(F)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c15-12-10(17)7-11(18)14(13(12)16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,17-18H2
InChIKeyXQQZCBQXQJUXMB-UHFFFAOYSA-N
XLogP2.97
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-(3-fluoro-benzyloxy)aniline
CID 62114129
4-[(3-Fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729114
4-[(4-Fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729115
4-[(2-Fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
2-Chloro-3-fluoro-4-phenylmethoxyaniline
CID 176246351
2-Chloro-4-[(2,4-difluorophenyl)methoxy]aniline
CID 55045948
4-Chloro-2-[(2,5-difluorophenyl)methoxy]aniline
CID 55057475
4-Chloro-2-[(2,3-difluorophenyl)methoxy]aniline
CID 55058188
4-Chloro-2-[(3-fluorophenyl)methoxy]aniline
CID 55210023
2-Chloro-4-[(2,5-difluorophenyl)methoxy]aniline
CID 62111616
2-Chloro-4-[(4-fluorophenyl)methoxy]aniline
CID 62111944
2-Chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 62111949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol (CID 107708483) is 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol is Nc1cc(N)c(Oc2ccc(CCO)cc2)c(F)c1Cl.
What is the InChIKey of 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol?
The InChIKey is XQQZCBQXQJUXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-12-10(17)7-11(18)14(13(12)16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,17-18H2.
What are the key properties of 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol?
2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol has a molecular weight of 296.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 107708483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).