N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine

C11H16F2N2 — CID 60922084

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccccc1CN)CC(F)F
InChIInChI=1S/C11H16F2N2/c1-15(8-11(12)13)7-10-5-3-2-4-9(10)6-14/h2-5,11H,6-8,14H2,1H3
InChIKeyIPZKMRJOYGGIQR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine

N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 60922084) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
PubChem CID60922084
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccccc1CN)CC(F)F
InChIInChI=1S/C11H16F2N2/c1-15(8-11(12)13)7-10-5-3-2-4-9(10)6-14/h2-5,11H,6-8,14H2,1H3
InChIKeyIPZKMRJOYGGIQR-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 102663097
3-[[2,2-difluoroethyl(methyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117465
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 62624662
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine (CID 60922084) is N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1ccccc1CN)CC(F)F.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is IPZKMRJOYGGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-15(8-11(12)13)7-10-5-3-2-4-9(10)6-14/h2-5,11H,6-8,14H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine?
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 214.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 60922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).