1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine

C16H16F3NO — CID 60699442

IUPAC1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCc1ccccc1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyZPDKBCPJJYOCCC-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.18
Rot. Bonds5

About 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine

1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 60699442) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID60699442
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCc1ccccc1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyZPDKBCPJJYOCCC-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[(3-methylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 112722504
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
2,2-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanenitrile
CID 104587087
(E)-N-[[2-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 115629021
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (CID 60699442) is 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is Cc1ccccc1CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is ZPDKBCPJJYOCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(17,18)19/h2-9,20H,10-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 60699442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).