3-(2-fluoro-6-methoxyphenyl)-N-methylaniline

C14H14FNO — CID 70269151

IUPAC3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
SMILESCNc1cccc(-c2c(F)cccc2OC)c1
InChIInChI=1S/C14H14FNO/c1-16-11-6-3-5-10(9-11)14-12(15)7-4-8-13(14)17-2/h3-9,16H,1-2H3
InChIKeyWURRCKUZVAEVRV-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.54
Rot. Bonds3

About 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline

3-(2-fluoro-6-methoxyphenyl)-N-methylaniline (PubChem CID 70269151) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
PubChem CID70269151
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
SMILESCNc1cccc(-c2c(F)cccc2OC)c1
InChIInChI=1S/C14H14FNO/c1-16-11-6-3-5-10(9-11)14-12(15)7-4-8-13(14)17-2/h3-9,16H,1-2H3
InChIKeyWURRCKUZVAEVRV-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-methylaniline
CID 21307269
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane
CID 143810158
4-fluoro-5-methoxy-9H-fluoren-9-amine
CID 82578577
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
2-(3-iodophenyl)-1,3-dimethoxybenzene
CID 11302224
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
3-fluoro-N-methylaniline
CID 2759011

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline (CID 70269151) is 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline is CNc1cccc(-c2c(F)cccc2OC)c1.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline?
The InChIKey is WURRCKUZVAEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-16-11-6-3-5-10(9-11)14-12(15)7-4-8-13(14)17-2/h3-9,16H,1-2H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline?
3-(2-fluoro-6-methoxyphenyl)-N-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 70269151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).