1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine

C10H12ClF2N — CID 130690285

IUPAC1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc(C)ccc1Cl)C(F)F
InChIInChI=1S/C10H12ClF2N/c1-6-3-4-8(11)7(5-6)9(14-2)10(12)13/h3-5,9-10,14H,1-2H3
InChIKeyWISCDGGBHWWJET-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine

1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 130690285) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
PubChem CID130690285
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc(C)ccc1Cl)C(F)F
InChIInChI=1S/C10H12ClF2N/c1-6-3-4-8(11)7(5-6)9(14-2)10(12)13/h3-5,9-10,14H,1-2H3
InChIKeyWISCDGGBHWWJET-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853
1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
CID 80605156
1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine
CID 114979016
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 106857516
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine (CID 130690285) is 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine is CNC(c1cc(C)ccc1Cl)C(F)F.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is WISCDGGBHWWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-6-3-4-8(11)7(5-6)9(14-2)10(12)13/h3-5,9-10,14H,1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine?
1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 219.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 130690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).