N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine

C17H18F3N — CID 102753616

IUPACN-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H18F3N/c1-3-21-16(13-7-5-4-6-8-13)15-10-9-14(11-12(15)2)17(18,19)20/h4-11,16,21H,3H2,1-2H3
InChIKeyUBIPYNQYHLBJFP-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.71
Rot. Bonds4

About N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine

N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine (PubChem CID 102753616) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
PubChem CID102753616
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H18F3N/c1-3-21-16(13-7-5-4-6-8-13)15-10-9-14(11-12(15)2)17(18,19)20/h4-11,16,21H,3H2,1-2H3
InChIKeyUBIPYNQYHLBJFP-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102755153
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine?
The IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine (CID 102753616) is N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine?
The InChIKey is UBIPYNQYHLBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-16(13-7-5-4-6-8-13)15-10-9-14(11-12(15)2)17(18,19)20/h4-11,16,21H,3H2,1-2H3.
What are the key properties of N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine?
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine is sourced from PubChem (CID 102753616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).