3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline

C14H23FN2O2 — CID 112646083

IUPAC3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline
SMILESCOCCN(Cc1cc(N)cc(F)c1)C(C)COC
InChIInChI=1S/C14H23FN2O2/c1-11(10-19-3)17(4-5-18-2)9-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyUMKYSZJEESSTPX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.89
Rot. Bonds8

About 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline

3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline (PubChem CID 112646083) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline
PubChem CID112646083
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline
SMILESCOCCN(Cc1cc(N)cc(F)c1)C(C)COC
InChIInChI=1S/C14H23FN2O2/c1-11(10-19-3)17(4-5-18-2)9-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyUMKYSZJEESSTPX-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 79673320
3-[(3-amino-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 112646163
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
[3-fluoro-5-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]boronic acid
CID 82961102
3-[[butyl(methyl)amino]methyl]-5-fluoroaniline
CID 112645907
5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine
CID 61427146
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-3-amine
CID 104739958
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
CID 115341949
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
CID 112646222
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63292652
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
CID 82948357

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline?
The IUPAC name of 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline (CID 112646083) is 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline?
The canonical SMILES for 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline is COCCN(Cc1cc(N)cc(F)c1)C(C)COC.
What is the InChIKey of 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline?
The InChIKey is UMKYSZJEESSTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-11(10-19-3)17(4-5-18-2)9-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline?
3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 112646083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).