(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine

C16H16F3NO — CID 134943527

IUPAC(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-21-14-9-7-12(8-10-14)11-20-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3/t15-/m1/s1
InChIKeyHSSAINXHUKPSJQ-OAHLLOKOSA-N
MW295.30 g/mol
LogP4.09
Rot. Bonds5

About (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine

(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 134943527) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
PubChem CID134943527
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-21-14-9-7-12(8-10-14)11-20-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3/t15-/m1/s1
InChIKeyHSSAINXHUKPSJQ-OAHLLOKOSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
CID 107230552
N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 62046972
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine
CID 24939019

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine (CID 134943527) is (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine is COc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is HSSAINXHUKPSJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-14-9-7-12(8-10-14)11-20-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine?
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 134943527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).