5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline

C14H23FN2O — CID 64770363

IUPAC5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
SMILESCOCCN(Cc1ccc(F)cc1N)CC(C)C
InChIInChI=1S/C14H23FN2O/c1-11(2)9-17(6-7-18-3)10-12-4-5-13(15)8-14(12)16/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWIXWVHKOCUAXBU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.51
Rot. Bonds7

About 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline

5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline (PubChem CID 64770363) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
PubChem CID64770363
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
SMILESCOCCN(Cc1ccc(F)cc1N)CC(C)C
InChIInChI=1S/C14H23FN2O/c1-11(2)9-17(6-7-18-3)10-12-4-5-13(15)8-14(12)16/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWIXWVHKOCUAXBU-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
CID 104739945
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
[(2S)-3-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-2-hydroxypropyl] butanoate
CID 93162641
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline (CID 64770363) is 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline is COCCN(Cc1ccc(F)cc1N)CC(C)C.
What is the InChIKey of 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline?
The InChIKey is WIXWVHKOCUAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(2)9-17(6-7-18-3)10-12-4-5-13(15)8-14(12)16/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline?
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline has a molecular weight of 254.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 64770363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).