3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline

C12H19FN2O2 — CID 114099232

IUPAC3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline
SMILESCOCC(CNc1cc(F)cc(CN)c1)OC
InChIInChI=1S/C12H19FN2O2/c1-16-8-12(17-2)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,12,15H,6-8,14H2,1-2H3
InChIKeyVKGPKPAQWVCEAL-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.36
Rot. Bonds7

About 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline

3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline (PubChem CID 114099232) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline
PubChem CID114099232
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline
SMILESCOCC(CNc1cc(F)cc(CN)c1)OC
InChIInChI=1S/C12H19FN2O2/c1-16-8-12(17-2)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,12,15H,6-8,14H2,1-2H3
InChIKeyVKGPKPAQWVCEAL-UHFFFAOYSA-N
XLogP1.36
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
3-bromo-5-(2,3-dimethoxypropylamino)benzonitrile
CID 114100205
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734
4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
CID 106243117
3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline
CID 170765592
5-fluoro-3-N-(3-methoxypropyl)benzene-1,3-diamine
CID 60874799
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
4-(2,3-dimethoxypropylamino)-3-fluorobenzenecarbothioamide
CID 114100253
2-bromo-4-(2,3-dimethoxypropylamino)benzenecarbothioamide
CID 114100259
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 114101101

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline?
The IUPAC name of 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline (CID 114099232) is 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline?
The canonical SMILES for 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline is COCC(CNc1cc(F)cc(CN)c1)OC.
What is the InChIKey of 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline?
The InChIKey is VKGPKPAQWVCEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-16-8-12(17-2)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,12,15H,6-8,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline?
3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline has a molecular weight of 242.29 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline is sourced from PubChem (CID 114099232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).