2-(2-chloro-6-fluorophenyl)-N-methylethanamine

C9H11ClFN — CID 43163676

IUPAC2-(2-chloro-6-fluorophenyl)-N-methylethanamine
SMILESCNCCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,12H,5-6H2,1H3
InChIKeyDUSHECFRVQITQU-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-methylethanamine

2-(2-chloro-6-fluorophenyl)-N-methylethanamine (PubChem CID 43163676) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methylethanamine
PubChem CID43163676
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methylethanamine
SMILESCNCCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,12H,5-6H2,1H3
InChIKeyDUSHECFRVQITQU-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
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2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
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2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
(2S,3S)-2-[2-(2-chloro-6-fluorophenyl)ethylamino]-3-methylpentanoic acid
CID 122100189
CID 167462330
CID 167462330
N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409083
2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene
CID 178141590

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methylethanamine (CID 43163676) is 2-(2-chloro-6-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methylethanamine is CNCCc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methylethanamine?
The InChIKey is DUSHECFRVQITQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,12H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methylethanamine?
2-(2-chloro-6-fluorophenyl)-N-methylethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43163676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).