N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine

C16H18FNO — CID 81447834

IUPACN-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-12-8-9-13(15(17)10-12)14-6-4-5-7-16(14)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyDQKIXZWBMUYTBF-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.61
Rot. Bonds5

About N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine (PubChem CID 81447834) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
PubChem CID81447834
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-12-8-9-13(15(17)10-12)14-6-4-5-7-16(14)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyDQKIXZWBMUYTBF-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine (CID 81447834) is N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccccc2OC)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The InChIKey is DQKIXZWBMUYTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18-11-12-8-9-13(15(17)10-12)14-6-4-5-7-16(14)19-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).