N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine

C16H17F2N — CID 54911835

IUPACN-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(C)ccc2F)ccc1F
InChIInChI=1S/C16H17F2N/c1-3-19-10-13-9-12(5-7-15(13)17)14-8-11(2)4-6-16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyBURMKWRNGJMPMS-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.05
Rot. Bonds4

About N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 54911835) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
PubChem CID54911835
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(C)ccc2F)ccc1F
InChIInChI=1S/C16H17F2N/c1-3-19-10-13-9-12(5-7-15(13)17)14-8-11(2)4-6-16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyBURMKWRNGJMPMS-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine (CID 54911835) is N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine is CCNCc1cc(-c2cc(C)ccc2F)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is BURMKWRNGJMPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-19-10-13-9-12(5-7-15(13)17)14-8-11(2)4-6-16(14)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 54911835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).