(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C14H11Br2ClF3NO — CID 171244775

IUPAC(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F3NO.ClH/c15-9-3-6-12(16)11(7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19;/h1-7,13H,20H2;1H/t13-;/m0./s1
InChIKeyONQXWBHRTICACJ-ZOWNYOTGSA-N
MW461.50 g/mol
LogP5.58
Rot. Bonds3

About (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171244775) has the molecular formula C14H11Br2ClF3NO and a molecular weight of 461.50 g/mol. Its IUPAC name is (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171244775
Molecular FormulaC14H11Br2ClF3NO
Molecular Weight461.50 g/mol
Exact Mass458.88
IUPAC Name(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F3NO.ClH/c15-9-3-6-12(16)11(7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19;/h1-7,13H,20H2;1H/t13-;/m0./s1
InChIKeyONQXWBHRTICACJ-ZOWNYOTGSA-N
XLogP5.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4,6-dibromoaniline
CID 171246069
(R)-(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245830
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245706
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-2,3-difluorophenol;hydrochloride
CID 171257942
1-[(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171283619
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817

Frequently Asked Questions

What is the IUPAC name of (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171244775) is (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is ONQXWBHRTICACJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H10Br2F3NO.ClH/c15-9-3-6-12(16)11(7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19;/h1-7,13H,20H2;1H/t13-;/m0./s1.
What are the key properties of (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 461.50 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171244775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).