2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine

C16H16F3NO — CID 43167014

IUPAC2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
SMILESCOc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-21-14-9-7-13(8-10-14)15(20-11-16(17,18)19)12-5-3-2-4-6-12/h2-10,15,20H,11H2,1H3
InChIKeyGSBFZPZVUTXKPW-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.94
Rot. Bonds5

About 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine

2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine (PubChem CID 43167014) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
PubChem CID43167014
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
SMILESCOc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-21-14-9-7-13(8-10-14)15(20-11-16(17,18)19)12-5-3-2-4-6-12/h2-10,15,20H,11H2,1H3
InChIKeyGSBFZPZVUTXKPW-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
CID 110010974
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
CID 115970933
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
CID 51950712
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine (CID 43167014) is 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine is COc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
The InChIKey is GSBFZPZVUTXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-14-9-7-13(8-10-14)15(20-11-16(17,18)19)12-5-3-2-4-6-12/h2-10,15,20H,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine?
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43167014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).