N-(2-fluoroethyl)-2-methoxy-5-methylaniline

C10H14FNO — CID 80699786

IUPACN-(2-fluoroethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCCF
InChIInChI=1S/C10H14FNO/c1-8-3-4-10(13-2)9(7-8)12-6-5-11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyMPYVJSSIXHGQAZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.39
Rot. Bonds4

About N-(2-fluoroethyl)-2-methoxy-5-methylaniline

N-(2-fluoroethyl)-2-methoxy-5-methylaniline (PubChem CID 80699786) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methoxy-5-methylaniline
PubChem CID80699786
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(2-fluoroethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCCF
InChIInChI=1S/C10H14FNO/c1-8-3-4-10(13-2)9(7-8)12-6-5-11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyMPYVJSSIXHGQAZ-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79019437
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79213571
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
CID 60679323
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methoxy-5-methylaniline?
The IUPAC name of N-(2-fluoroethyl)-2-methoxy-5-methylaniline (CID 80699786) is N-(2-fluoroethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for N-(2-fluoroethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for N-(2-fluoroethyl)-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methoxy-5-methylaniline?
The InChIKey is MPYVJSSIXHGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-3-4-10(13-2)9(7-8)12-6-5-11/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-methoxy-5-methylaniline?
N-(2-fluoroethyl)-2-methoxy-5-methylaniline has a molecular weight of 183.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 80699786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).