4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol

C14H11BrF3NO2 — CID 171247817

IUPAC4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C14H11BrF3NO2/c15-11-7-9(3-6-12(11)20)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1
InChIKeyNJFNEISXKBWODQ-CYBMUJFWSA-N
MW362.15 g/mol
LogP4.10
Rot. Bonds3

About 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol

4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol (PubChem CID 171247817) has the molecular formula C14H11BrF3NO2 and a molecular weight of 362.15 g/mol. Its IUPAC name is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol.

Molecular Properties

Compound Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
PubChem CID171247817
Molecular FormulaC14H11BrF3NO2
Molecular Weight362.15 g/mol
Exact Mass360.99
IUPAC Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C14H11BrF3NO2/c15-11-7-9(3-6-12(11)20)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1
InChIKeyNJFNEISXKBWODQ-CYBMUJFWSA-N
XLogP4.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol
CID 171258095
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
CID 171256661
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171247522
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-2,3-difluorophenol;hydrochloride
CID 171257942
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol?
The IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol (CID 171247817) is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol.
What is the SMILES notation for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol?
The canonical SMILES for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Br)c1.
What is the InChIKey of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol?
The InChIKey is NJFNEISXKBWODQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11BrF3NO2/c15-11-7-9(3-6-12(11)20)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1.
What are the key properties of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol?
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol has a molecular weight of 362.15 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol is sourced from PubChem (CID 171247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).