(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C16H16F3NO3 — CID 171246015

IUPAC(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C16H16F3NO3/c1-21-13-8-5-11(9-14(13)22-2)15(20)10-3-6-12(7-4-10)23-16(17,18)19/h3-9,15H,20H2,1-2H3/t15-/m1/s1
InChIKeyFRHCLWDKUGWJAL-OAHLLOKOSA-N
MW327.30 g/mol
LogP3.65
Rot. Bonds5

About (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171246015) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171246015
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C16H16F3NO3/c1-21-13-8-5-11(9-14(13)22-2)15(20)10-3-6-12(7-4-10)23-16(17,18)19/h3-9,15H,20H2,1-2H3/t15-/m1/s1
InChIKeyFRHCLWDKUGWJAL-OAHLLOKOSA-N
XLogP3.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
(R)-(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245830
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171246015) is (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1OC.
What is the InChIKey of (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is FRHCLWDKUGWJAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-21-13-8-5-11(9-14(13)22-2)15(20)10-3-6-12(7-4-10)23-16(17,18)19/h3-9,15H,20H2,1-2H3/t15-/m1/s1.
What are the key properties of (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 327.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171246015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).