N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine

C17H19F2N — CID 79522408

IUPACN-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyOUZPDJZQXYQFOF-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.28
Rot. Bonds4

About N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 79522408) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID79522408
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyOUZPDJZQXYQFOF-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(3-bromo-2,6-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 106942276
N-[(2,4-difluoro-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79725395
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine (CID 79522408) is N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is OUZPDJZQXYQFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 79522408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).