2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine

C16H16F3NO — CID 164888223

IUPAC2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-11-5-6-12(7-8-20)15(9-11)13-3-2-4-14(10-13)21-16(17,18)19/h2-6,9-10H,7-8,20H2,1H3
InChIKeyPIZRYQHYHWSJHL-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.06
Rot. Bonds4

About 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine (PubChem CID 164888223) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
PubChem CID164888223
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-11-5-6-12(7-8-20)15(9-11)13-3-2-4-14(10-13)21-16(17,18)19/h2-6,9-10H,7-8,20H2,1H3
InChIKeyPIZRYQHYHWSJHL-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
CID 134622608
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 164888225
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-(chloromethyl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 170552809
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine (CID 164888223) is 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine is Cc1ccc(CCN)c(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The InChIKey is PIZRYQHYHWSJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-5-6-12(7-8-20)15(9-11)13-3-2-4-14(10-13)21-16(17,18)19/h2-6,9-10H,7-8,20H2,1H3.
What are the key properties of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine is sourced from PubChem (CID 164888223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).