2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine

C9H10Cl2FN — CID 84687329

IUPAC2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)ccc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN/c1-13-5-4-6-7(10)2-3-8(11)9(6)12/h2-3,13H,4-5H2,1H3
InChIKeyFWNAPHJICLDWFD-UHFFFAOYSA-N
MW222.09 g/mol
LogP2.89
Rot. Bonds3

About 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine

2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 84687329) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
PubChem CID84687329
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)ccc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN/c1-13-5-4-6-7(10)2-3-8(11)9(6)12/h2-3,13H,4-5H2,1H3
InChIKeyFWNAPHJICLDWFD-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 82792954
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
CID 84670371
1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
CID 130140819
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
3,4,6-trifluoro-2-[2-(methylamino)ethyl]phenol
CID 117293117
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116
(6-chloro-2-fluoro-3-methylphenyl)methanethiol
CID 86098483

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine (CID 84687329) is 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine is CNCCc1c(Cl)ccc(Cl)c1F.
What is the InChIKey of 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is FWNAPHJICLDWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN/c1-13-5-4-6-7(10)2-3-8(11)9(6)12/h2-3,13H,4-5H2,1H3.
What are the key properties of 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine?
2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 222.09 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 84687329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).