1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine

C8H9ClFNO — CID 82603184

IUPAC1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3
InChIKeyBBXZOMBWTSBWRN-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine

1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine (PubChem CID 82603184) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine
PubChem CID82603184
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3
InChIKeyBBXZOMBWTSBWRN-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

3-Chloro-4-fluorobenzylamine
CID 144539
2-Chlorobenzylamine
CID 66648
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
1-(2-Chlorophenyl)ethanamine
CID 299767
2-Chloro-6-fluorobenzylamine
CID 84833
2-Chloro-4-fluorobenzylamine
CID 139909
(2-Chlorophenyl)methanamine hydrochloride
CID 18670922
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789
(alphaS)-2-Chloro-alpha-methylbenzenemethanamine
CID 1551199
N-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
CID 53438344

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine (CID 82603184) is 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine is CONCc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine?
The InChIKey is BBXZOMBWTSBWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-4,11H,5H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methoxymethanamine?
1-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 82603184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).