N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline

C12H18FNO2 — CID 66222968

IUPACN-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
SMILESCCN(CC(OC)OC)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-4-14(9-12(15-2)16-3)11-7-5-6-10(13)8-11/h5-8,12H,4,9H2,1-3H3
InChIKeyPERCWUZPHRGHGZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.27
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline

N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline (PubChem CID 66222968) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
PubChem CID66222968
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
SMILESCCN(CC(OC)OC)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-4-14(9-12(15-2)16-3)11-7-5-6-10(13)8-11/h5-8,12H,4,9H2,1-3H3
InChIKeyPERCWUZPHRGHGZ-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
N-ethyl-3-fluoro-N-(4-methoxybut-2-ynyl)aniline
CID 75390588
N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287798
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
methyl 3-(N-ethyl-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79621537
N'-ethyl-N'-(3-fluorophenyl)but-2-ene-1,4-diamine
CID 77110788
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257454

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline (CID 66222968) is N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline is CCN(CC(OC)OC)c1cccc(F)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline?
The InChIKey is PERCWUZPHRGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-14(9-12(15-2)16-3)11-7-5-6-10(13)8-11/h5-8,12H,4,9H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline?
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline has a molecular weight of 227.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 66222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).