1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

C15H14ClF2N — CID 115852601

IUPAC1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-12(17)11(8-9)15(19-2)10-4-3-5-13(18)14(10)16/h3-8,15,19H,1-2H3
InChIKeyPWGOPOBRZSWTFQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 115852601) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID115852601
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-12(17)11(8-9)15(19-2)10-4-3-5-13(18)14(10)16/h3-8,15,19H,1-2H3
InChIKeyPWGOPOBRZSWTFQ-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2-chloro-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302793
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483845
1-(2-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81454582
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 115852601) is 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1F)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is PWGOPOBRZSWTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-6-7-12(17)11(8-9)15(19-2)10-4-3-5-13(18)14(10)16/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).