N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

C17H18ClF2N — CID 106882073

IUPACN-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1F)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H18ClF2N/c1-4-21-17(13-9-12(18)5-6-14(13)19)16-11(3)7-10(2)8-15(16)20/h5-9,17,21H,4H2,1-3H3
InChIKeyZTZRYKJSWFUPHC-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.93
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106882073) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106882073
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1F)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H18ClF2N/c1-4-21-17(13-9-12(18)5-6-14(13)19)16-11(3)7-10(2)8-15(16)20/h5-9,17,21H,4H2,1-3H3
InChIKeyZTZRYKJSWFUPHC-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (CID 106882073) is N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1F)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is ZTZRYKJSWFUPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-4-21-17(13-9-12(18)5-6-14(13)19)16-11(3)7-10(2)8-15(16)20/h5-9,17,21H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 309.79 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).