5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine

C11H15ClFN3O — CID 162729051

IUPAC5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)cc(F)c1NCC1CNCCO1
InChIInChI=1S/C11H15ClFN3O/c12-7-3-9(13)11(10(14)4-7)16-6-8-5-15-1-2-17-8/h3-4,8,15-16H,1-2,5-6,14H2
InChIKeyFYXIEFZCFNYFFR-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.46
Rot. Bonds3

About 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine

5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine (PubChem CID 162729051) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine
PubChem CID162729051
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)cc(F)c1NCC1CNCCO1
InChIInChI=1S/C11H15ClFN3O/c12-7-3-9(13)11(10(14)4-7)16-6-8-5-15-1-2-17-8/h3-4,8,15-16H,1-2,5-6,14H2
InChIKeyFYXIEFZCFNYFFR-UHFFFAOYSA-N
XLogP1.46
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine (CID 162729051) is 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine is Nc1cc(Cl)cc(F)c1NCC1CNCCO1.
What is the InChIKey of 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is FYXIEFZCFNYFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-7-3-9(13)11(10(14)4-7)16-6-8-5-15-1-2-17-8/h3-4,8,15-16H,1-2,5-6,14H2.
What are the key properties of 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine?
5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 259.71 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-N-(morpholin-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 162729051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).