(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C15H14BrClF3NO2 — CID 171248315

IUPAC(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1Br.Cl
InChIInChI=1S/C15H13BrF3NO2.ClH/c1-21-13-7-4-10(8-12(13)16)14(20)9-2-5-11(6-3-9)22-15(17,18)19;/h2-8,14H,20H2,1H3;1H/t14-;/m1./s1
InChIKeyFSYWMEWVLFFEPW-PFEQFJNWSA-N
MW412.63 g/mol
LogP4.83
Rot. Bonds4

About (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171248315) has the molecular formula C15H14BrClF3NO2 and a molecular weight of 412.63 g/mol. Its IUPAC name is (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171248315
Molecular FormulaC15H14BrClF3NO2
Molecular Weight412.63 g/mol
Exact Mass410.98
IUPAC Name(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1Br.Cl
InChIInChI=1S/C15H13BrF3NO2.ClH/c1-21-13-7-4-10(8-12(13)16)14(20)9-2-5-11(6-3-9)22-15(17,18)19;/h2-8,14H,20H2,1H3;1H/t14-;/m1./s1
InChIKeyFSYWMEWVLFFEPW-PFEQFJNWSA-N
XLogP4.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
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
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
1-[(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290705
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171248315) is (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is COc1ccc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc1Br.Cl.
What is the InChIKey of (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is FSYWMEWVLFFEPW-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H13BrF3NO2.ClH/c1-21-13-7-4-10(8-12(13)16)14(20)9-2-5-11(6-3-9)22-15(17,18)19;/h2-8,14H,20H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 412.63 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171248315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).