N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline

C17H20F2N2 — CID 115523780

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H20F2N2/c1-21(2)12-15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyMZWUTESJPHJRBX-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.30
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline

N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline (PubChem CID 115523780) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
PubChem CID115523780
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H20F2N2/c1-21(2)12-15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyMZWUTESJPHJRBX-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[[4-(difluoromethyl)phenyl]methyl]-2-(difluoromethylsulfanyl)aniline
CID 115523404
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094
2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline (CID 115523780) is N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline is CN(C)Cc1ccccc1NCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline?
The InChIKey is MZWUTESJPHJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-21(2)12-15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline?
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline has a molecular weight of 290.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 115523780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).