N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine

C11H15ClF2N2 — CID 102663097

IUPACN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccc(CN)cc1Cl)CC(F)F
InChIInChI=1S/C11H15ClF2N2/c1-16(7-11(13)14)6-9-3-2-8(5-15)4-10(9)12/h2-4,11H,5-7,15H2,1H3
InChIKeyXSCRQWBEUHGZFK-UHFFFAOYSA-N
MW248.70 g/mol
LogP2.50
Rot. Bonds5

About N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine

N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 102663097) has the molecular formula C11H15ClF2N2 and a molecular weight of 248.70 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
PubChem CID102663097
Molecular FormulaC11H15ClF2N2
Molecular Weight248.70 g/mol
Exact Mass248.09
IUPAC NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccc(CN)cc1Cl)CC(F)F
InChIInChI=1S/C11H15ClF2N2/c1-16(7-11(13)14)6-9-3-2-8(5-15)4-10(9)12/h2-4,11H,5-7,15H2,1H3
InChIKeyXSCRQWBEUHGZFK-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 102662788
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115624782
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
CID 102663095

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine (CID 102663097) is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1ccc(CN)cc1Cl)CC(F)F.
What is the InChIKey of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is XSCRQWBEUHGZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2/c1-16(7-11(13)14)6-9-3-2-8(5-15)4-10(9)12/h2-4,11H,5-7,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine?
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 248.70 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 102663097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).