4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline

C16H17ClF2N2 — CID 63786064

IUPAC4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
SMILESCN(Cc1ccccc1Cl)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C16H17ClF2N2/c1-21(10-12-4-2-3-5-13(12)17)16-14(18)8-11(6-7-20)9-15(16)19/h2-5,8-9H,6-7,10,20H2,1H3
InChIKeyMCGLTPKCYKXSLO-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.76
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline

4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline (PubChem CID 63786064) has the molecular formula C16H17ClF2N2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
PubChem CID63786064
Molecular FormulaC16H17ClF2N2
Molecular Weight310.78 g/mol
Exact Mass310.10
IUPAC Name4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
SMILESCN(Cc1ccccc1Cl)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C16H17ClF2N2/c1-21(10-12-4-2-3-5-13(12)17)16-14(18)8-11(6-7-20)9-15(16)19/h2-5,8-9H,6-7,10,20H2,1H3
InChIKeyMCGLTPKCYKXSLO-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552776
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 55236382
[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
CID 63077747
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630348
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63785903

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline (CID 63786064) is 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline is CN(Cc1ccccc1Cl)c1c(F)cc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline?
The InChIKey is MCGLTPKCYKXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2/c1-21(10-12-4-2-3-5-13(12)17)16-14(18)8-11(6-7-20)9-15(16)19/h2-5,8-9H,6-7,10,20H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline?
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline has a molecular weight of 310.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 63786064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).