4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol

C14H20F2N2O2 — CID 114947947

IUPAC4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-18(9-14(19)2-4-20-5-3-14)13-11(15)6-10(8-17)7-12(13)16/h6-7,19H,2-5,8-9,17H2,1H3
InChIKeyCWSOPXTXSNPQHO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.40
Rot. Bonds4

About 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol

4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol (PubChem CID 114947947) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
PubChem CID114947947
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-18(9-14(19)2-4-20-5-3-14)13-11(15)6-10(8-17)7-12(13)16/h6-7,19H,2-5,8-9,17H2,1H3
InChIKeyCWSOPXTXSNPQHO-UHFFFAOYSA-N
XLogP1.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63077663
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950051
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
5-amino-2-fluoro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzoic acid
CID 114947704
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
3-[4-(aminomethyl)phenyl]-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950713
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol (CID 114947947) is 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol?
The InChIKey is CWSOPXTXSNPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(9-14(19)2-4-20-5-3-14)13-11(15)6-10(8-17)7-12(13)16/h6-7,19H,2-5,8-9,17H2,1H3.
What are the key properties of 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol?
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol has a molecular weight of 286.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol is sourced from PubChem (CID 114947947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).