1-(3-chloro-2-fluorophenyl)-N-methylethanamine

C9H11ClFN — CID 64714352

IUPAC1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN/c1-6(12-2)7-4-3-5-8(10)9(7)11/h3-6,12H,1-2H3
InChIKeyMGECKRGNWZVKFI-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-N-methylethanamine

1-(3-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 64714352) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID64714352
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN/c1-6(12-2)7-4-3-5-8(10)9(7)11/h3-6,12H,1-2H3
InChIKeyMGECKRGNWZVKFI-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
CID 147465889
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylethanamine (CID 64714352) is 1-(3-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methylethanamine is CNC(C)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is MGECKRGNWZVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(12-2)7-4-3-5-8(10)9(7)11/h3-6,12H,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
1-(3-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64714352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).