(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C16H16F3NO2 — CID 171239826

IUPAC(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCOc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO2/c1-2-21-13-7-3-11(4-8-13)15(20)12-5-9-14(10-6-12)22-16(17,18)19/h3-10,15H,2,20H2,1H3/t15-/m1/s1
InChIKeyRSEDQLQWTDPURI-OAHLLOKOSA-N
MW311.30 g/mol
LogP4.03
Rot. Bonds5

About (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171239826) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171239826
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCOc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO2/c1-2-21-13-7-3-11(4-8-13)15(20)12-5-9-14(10-6-12)22-16(17,18)19/h3-10,15H,2,20H2,1H3/t15-/m1/s1
InChIKeyRSEDQLQWTDPURI-OAHLLOKOSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323

Frequently Asked Questions

What is the IUPAC name of (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171239826) is (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is CCOc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RSEDQLQWTDPURI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-2-21-13-7-3-11(4-8-13)15(20)12-5-9-14(10-6-12)22-16(17,18)19/h3-10,15H,2,20H2,1H3/t15-/m1/s1.
What are the key properties of (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 311.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171239826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).