1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine

C17H19F2N — CID 107515485

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-4-12-7-5-6-8-13(12)17(20-3)14-10-9-11(2)15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyXUINMGQIPADWEZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine

1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (PubChem CID 107515485) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
PubChem CID107515485
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-4-12-7-5-6-8-13(12)17(20-3)14-10-9-11(2)15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyXUINMGQIPADWEZ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006641
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852479
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 103394612
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (CID 107515485) is 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine is CCc1ccccc1C(NC)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The InChIKey is XUINMGQIPADWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-4-12-7-5-6-8-13(12)17(20-3)14-10-9-11(2)15(18)16(14)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107515485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).