N-(2-fluoroethyl)-2-(methoxymethyl)aniline

C10H14FNO — CID 80695014

IUPACN-(2-fluoroethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCCF
InChIInChI=1S/C10H14FNO/c1-13-8-9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeyMIODMLKEQKVVGV-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.21
Rot. Bonds5

About N-(2-fluoroethyl)-2-(methoxymethyl)aniline

N-(2-fluoroethyl)-2-(methoxymethyl)aniline (PubChem CID 80695014) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(methoxymethyl)aniline
PubChem CID80695014
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(2-fluoroethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCCF
InChIInChI=1S/C10H14FNO/c1-13-8-9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeyMIODMLKEQKVVGV-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[2-(methoxymethyl)anilino]pentan-1-ol
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N-benzyl-2-(methoxymethyl)aniline
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2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723452
N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
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N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-[(E)-3-chloro-2-methylprop-2-enyl]-2-(methoxymethyl)aniline
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N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(2-fluoroethyl)-2-(methoxymethyl)aniline (CID 80695014) is N-(2-fluoroethyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(2-fluoroethyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(2-fluoroethyl)-2-(methoxymethyl)aniline is COCc1ccccc1NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-(methoxymethyl)aniline?
The InChIKey is MIODMLKEQKVVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-13-8-9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-8H2,1H3.
What are the key properties of N-(2-fluoroethyl)-2-(methoxymethyl)aniline?
N-(2-fluoroethyl)-2-(methoxymethyl)aniline has a molecular weight of 183.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 80695014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).