3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline

C10H14F2N2 — CID 60923207

IUPAC3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC(F)F
InChIInChI=1S/C10H14F2N2/c1-14(7-10(11)12)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7,13H2,1H3
InChIKeySYMKBSGCFORKOW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.97
Rot. Bonds4

About 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline

3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline (PubChem CID 60923207) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
PubChem CID60923207
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC(F)F
InChIInChI=1S/C10H14F2N2/c1-14(7-10(11)12)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7,13H2,1H3
InChIKeySYMKBSGCFORKOW-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43457980
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[methyl(prop-2-enyl)amino]methyl]aniline
CID 140706213
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
CID 43383747
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline (CID 60923207) is 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline is CN(Cc1cccc(N)c1)CC(F)F.
What is the InChIKey of 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline?
The InChIKey is SYMKBSGCFORKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14(7-10(11)12)6-8-3-2-4-9(13)5-8/h2-5,10H,6-7,13H2,1H3.
What are the key properties of 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline?
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline has a molecular weight of 200.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 60923207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).