(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine

C16H16F3NO2 — CID 66512512

IUPAC(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C16H16F3NO2/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9,15H,10,20H2,1H3/t15-/m1/s1
InChIKeyVRJCREPIIAXVEE-OAHLLOKOSA-N
MW311.30 g/mol
LogP3.84
Rot. Bonds5

About (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine (PubChem CID 66512512) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
PubChem CID66512512
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C16H16F3NO2/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9,15H,10,20H2,1H3/t15-/m1/s1
InChIKeyVRJCREPIIAXVEE-OAHLLOKOSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66512660
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171243156
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-2,2,2-trifluoro-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 66510504
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine (CID 66512512) is (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine is COc1ccc([C@@H](N)C(F)(F)F)cc1OCc1ccccc1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine?
The InChIKey is VRJCREPIIAXVEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9,15H,10,20H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine has a molecular weight of 311.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 66512512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).