N-chloro-2-(4-fluorophenoxy)ethanamine

C8H9ClFNO — CID 118373465

IUPACN-chloro-2-(4-fluorophenoxy)ethanamine
SMILESFc1ccc(OCCNCl)cc1
InChIInChI=1S/C8H9ClFNO/c9-11-5-6-12-8-3-1-7(10)2-4-8/h1-4,11H,5-6H2
InChIKeyZAKFAWXLRHMVPE-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.95
Rot. Bonds4

About N-chloro-2-(4-fluorophenoxy)ethanamine

N-chloro-2-(4-fluorophenoxy)ethanamine (PubChem CID 118373465) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is N-chloro-2-(4-fluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-chloro-2-(4-fluorophenoxy)ethanamine
PubChem CID118373465
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameN-chloro-2-(4-fluorophenoxy)ethanamine
SMILESFc1ccc(OCCNCl)cc1
InChIInChI=1S/C8H9ClFNO/c9-11-5-6-12-8-3-1-7(10)2-4-8/h1-4,11H,5-6H2
InChIKeyZAKFAWXLRHMVPE-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
3-(4-fluorophenoxy)propylazanium
CID 42036216
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(4-fluorophenoxy)ethanamine?
The IUPAC name of N-chloro-2-(4-fluorophenoxy)ethanamine (CID 118373465) is N-chloro-2-(4-fluorophenoxy)ethanamine.
What is the SMILES notation for N-chloro-2-(4-fluorophenoxy)ethanamine?
The canonical SMILES for N-chloro-2-(4-fluorophenoxy)ethanamine is Fc1ccc(OCCNCl)cc1.
What is the InChIKey of N-chloro-2-(4-fluorophenoxy)ethanamine?
The InChIKey is ZAKFAWXLRHMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-11-5-6-12-8-3-1-7(10)2-4-8/h1-4,11H,5-6H2.
What are the key properties of N-chloro-2-(4-fluorophenoxy)ethanamine?
N-chloro-2-(4-fluorophenoxy)ethanamine has a molecular weight of 189.62 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(4-fluorophenoxy)ethanamine is sourced from PubChem (CID 118373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).