N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine

C17H20FNO2 — CID 116810961

IUPACN-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2c(OC)cccc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-10-12(8-9-14(13)18)17-15(20-2)6-5-7-16(17)21-3/h5-10,19H,4,11H2,1-3H3
InChIKeyCNTIJVZHQLKEQN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.62
Rot. Bonds6

About N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine

N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 116810961) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID116810961
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2c(OC)cccc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-10-12(8-9-14(13)18)17-15(20-2)6-5-7-16(17)21-3/h5-10,19H,4,11H2,1-3H3
InChIKeyCNTIJVZHQLKEQN-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
3-[3-(ethylaminomethyl)-4-fluorophenyl]-4-methoxybenzonitrile
CID 106951097
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine (CID 116810961) is N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1cc(-c2c(OC)cccc2OC)ccc1F.
What is the InChIKey of N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is CNTIJVZHQLKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-19-11-13-10-12(8-9-14(13)18)17-15(20-2)6-5-7-16(17)21-3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 116810961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).