N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C17H18F3N — CID 570902

IUPACN-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3N/c1-13-3-5-14(6-4-13)11-21(2)12-15-7-9-16(10-8-15)17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyPENXIPQBWLWCLF-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.65
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 570902) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID570902
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3N/c1-13-3-5-14(6-4-13)11-21(2)12-15-7-9-16(10-8-15)17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyPENXIPQBWLWCLF-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 570902) is N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is Cc1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is PENXIPQBWLWCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-13-3-5-14(6-4-13)11-21(2)12-15-7-9-16(10-8-15)17(18,19)20/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 570902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).