1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine

C8H9ClFNO — CID 114842559

IUPAC1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFNO/c1-12-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyBIXBLECMIKWAOE-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine

1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine (PubChem CID 114842559) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine
PubChem CID114842559
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFNO/c1-12-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyBIXBLECMIKWAOE-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chlorobenzylamine
CID 66036
3-Chloro-4-fluorobenzylamine
CID 144539
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
2-Chloro-6-fluorobenzylamine
CID 84833
2-Chloro-4-fluorobenzylamine
CID 139909
(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
CID 13320117
N-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
CID 53438344
(4-Chloro-2-fluorophenyl)methanamine hydrochloride
CID 2724909
2-(4-Chlorophenyl)prop-2-en-1-amine
CID 14893078

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine (CID 114842559) is 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine is CONCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine?
The InChIKey is BIXBLECMIKWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-12-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine?
1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine has a molecular weight of 189.62 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 114842559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).