N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine

C16H16F3NO — CID 62918232

IUPACN-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyAJBROMKSRROKOQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.36
Rot. Bonds5

About N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine

N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine (PubChem CID 62918232) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
PubChem CID62918232
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyAJBROMKSRROKOQ-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 139942776
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545389
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine (CID 62918232) is N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine is CCNCc1ccccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine?
The InChIKey is AJBROMKSRROKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3.
What are the key properties of N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine?
N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62918232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).