3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline

C12H18FNO2 — CID 115695260

IUPAC3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(OCCF)c1
InChIInChI=1S/C12H18FNO2/c1-10(9-15-2)14-11-4-3-5-12(8-11)16-7-6-13/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyATYRBTPYUZXOKJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.48
Rot. Bonds7

About 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline

3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline (PubChem CID 115695260) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
PubChem CID115695260
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(OCCF)c1
InChIInChI=1S/C12H18FNO2/c1-10(9-15-2)14-11-4-3-5-12(8-11)16-7-6-13/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyATYRBTPYUZXOKJ-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
methyl 3-(1-methoxypropan-2-ylamino)benzoate
CID 62536226
3-[[3-(2-fluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086785
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline (CID 115695260) is 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1cccc(OCCF)c1.
What is the InChIKey of 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is ATYRBTPYUZXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-10(9-15-2)14-11-4-3-5-12(8-11)16-7-6-13/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline?
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 227.28 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 115695260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).