4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline

C16H17F2NO — CID 43195979

IUPAC4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-8-13(17)5-6-15(10)19-11(2)12-4-7-16(20-3)14(18)9-12/h4-9,11,19H,1-3H3
InChIKeyIXYAXWKZBZFQKH-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.45
Rot. Bonds4

About 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline

4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline (PubChem CID 43195979) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
PubChem CID43195979
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-8-13(17)5-6-15(10)19-11(2)12-4-7-16(20-3)14(18)9-12/h4-9,11,19H,1-3H3
InChIKeyIXYAXWKZBZFQKH-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
CID 43225074
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
3-bromo-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzonitrile
CID 43722799
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline (CID 43195979) is 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline is COc1ccc(C(C)Nc2ccc(F)cc2C)cc1F.
What is the InChIKey of 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline?
The InChIKey is IXYAXWKZBZFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-8-13(17)5-6-15(10)19-11(2)12-4-7-16(20-3)14(18)9-12/h4-9,11,19H,1-3H3.
What are the key properties of 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline?
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43195979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).