N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline

C16H18F2N2 — CID 43750094

IUPACN-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1c(F)cccc1F
InChIInChI=1S/C16H18F2N2/c1-20(2)11-12-6-3-4-9-16(12)19-10-13-14(17)7-5-8-15(13)18/h3-9,19H,10-11H2,1-2H3
InChIKeyPGMGIGWANRFLAO-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.64
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline

N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline (PubChem CID 43750094) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
PubChem CID43750094
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1c(F)cccc1F
InChIInChI=1S/C16H18F2N2/c1-20(2)11-12-6-3-4-9-16(12)19-10-13-14(17)7-5-8-15(13)18/h3-9,19H,10-11H2,1-2H3
InChIKeyPGMGIGWANRFLAO-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
4-[[2-[(dimethylamino)methyl]anilino]methyl]benzene-1,2,3-triol
CID 107730732
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
CID 43750220
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline (CID 43750094) is N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline is CN(C)Cc1ccccc1NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The InChIKey is PGMGIGWANRFLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(2)11-12-6-3-4-9-16(12)19-10-13-14(17)7-5-8-15(13)18/h3-9,19H,10-11H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline?
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline has a molecular weight of 276.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43750094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).