N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

C17H19F2N — CID 43491064

IUPACN-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1cccc(C)c1C
InChIInChI=1S/C17H19F2N/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-9-8-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyUYLDXQZLAJYBQI-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.28
Rot. Bonds4

About N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 43491064) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID43491064
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1cccc(C)c1C
InChIInChI=1S/C17H19F2N/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-9-8-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyUYLDXQZLAJYBQI-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-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-[(2-bromo-4-fluorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 115850260
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 43491064) is N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)c1cccc(C)c1C.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is UYLDXQZLAJYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-9-8-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(2,3-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-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).