[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine

C15H13BrF3NO — CID 45282000

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(C(F)(F)F)ccc2Br)c1
InChIInChI=1S/C15H13BrF3NO/c1-21-11-4-2-3-9(7-11)14(20)12-8-10(15(17,18)19)5-6-13(12)16/h2-8,14H,20H2,1H3
InChIKeyDNRPOEDVPKCOCH-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.52
Rot. Bonds3

About [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine

[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine (PubChem CID 45282000) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
PubChem CID45282000
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(C(F)(F)F)ccc2Br)c1
InChIInChI=1S/C15H13BrF3NO/c1-21-11-4-2-3-9(7-11)14(20)12-8-10(15(17,18)19)5-6-13(12)16/h2-8,14H,20H2,1H3
InChIKeyDNRPOEDVPKCOCH-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine (CID 45282000) is [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc(C(F)(F)F)ccc2Br)c1.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine?
The InChIKey is DNRPOEDVPKCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-21-11-4-2-3-9(7-11)14(20)12-8-10(15(17,18)19)5-6-13(12)16/h2-8,14H,20H2,1H3.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine?
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine has a molecular weight of 360.17 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 45282000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).