1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine

C9H9ClF3N — CID 82678213

IUPAC1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4,14H,5H2,1H3
InChIKeyRLFMOITWKKIFRG-UHFFFAOYSA-N
MW223.62 g/mol
LogP3.08
Rot. Bonds2

About 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 82678213) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID82678213
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4,14H,5H2,1H3
InChIKeyRLFMOITWKKIFRG-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
CID 68633645
1-chloro-2-[dideuterio(methoxy)methyl]-3-(trifluoromethyl)benzene
CID 176829052
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
1-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]ethanethiol
CID 130205034
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 82678213) is 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is RLFMOITWKKIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4,14H,5H2,1H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 223.62 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82678213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).