1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine

C14H15FN2O — CID 170894788

IUPAC1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C14H15FN2O/c15-11-7-4-8-13(14(11)12(17)9-16)18-10-5-2-1-3-6-10/h1-8,12H,9,16-17H2
InChIKeyJWZIOEYEIBRRTM-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine

1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine (PubChem CID 170894788) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
PubChem CID170894788
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C14H15FN2O/c15-11-7-4-8-13(14(11)12(17)9-16)18-10-5-2-1-3-6-10/h1-8,12H,9,16-17H2
InChIKeyJWZIOEYEIBRRTM-UHFFFAOYSA-N
XLogP2.58
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-(1,2-diaminoethyl)-3-fluorobenzoic acid
CID 55273283
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
2-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
CID 66843725
1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
CID 170894778
methyl 2-amino-3-(2-fluoro-6-phenoxyphenyl)propanoate
CID 170883557
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine (CID 170894788) is 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine is NCC(N)c1c(F)cccc1Oc1ccccc1.
What is the InChIKey of 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine?
The InChIKey is JWZIOEYEIBRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-7-4-8-13(14(11)12(17)9-16)18-10-5-2-1-3-6-10/h1-8,12H,9,16-17H2.
What are the key properties of 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine?
1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).