1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine

C9H11ClFN — CID 84770592

IUPAC1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1c(F)ccc(Cl)c1C
InChIInChI=1S/C9H11ClFN/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,12H,5H2,1-2H3
InChIKeyMMCJXHWCGPCVNA-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine

1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 84770592) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID84770592
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1c(F)ccc(Cl)c1C
InChIInChI=1S/C9H11ClFN/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,12H,5H2,1-2H3
InChIKeyMMCJXHWCGPCVNA-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
2-chloro-4-fluoro-3-(methylaminomethyl)phenol
CID 84771303
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
CID 18721638
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine (CID 84770592) is 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine is CNCc1c(F)ccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is MMCJXHWCGPCVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84770592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).