N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide

C16H17BrF3NO — CID 75531292

IUPACN-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
SMILESBr.COc1ccccc1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO.BrH/c1-21-15-9-5-3-7-13(15)11-20-10-12-6-2-4-8-14(12)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H
InChIKeyNWBSZWDNFQLLDP-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.58
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide

N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide (PubChem CID 75531292) has the molecular formula C16H17BrF3NO and a molecular weight of 376.22 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
PubChem CID75531292
Molecular FormulaC16H17BrF3NO
Molecular Weight376.22 g/mol
Exact Mass375.04
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
SMILESBr.COc1ccccc1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO.BrH/c1-21-15-9-5-3-7-13(15)11-20-10-12-6-2-4-8-14(12)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H
InChIKeyNWBSZWDNFQLLDP-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 91547218
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide (CID 75531292) is N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide is Br.COc1ccccc1CNCc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide?
The InChIKey is NWBSZWDNFQLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO.BrH/c1-21-15-9-5-3-7-13(15)11-20-10-12-6-2-4-8-14(12)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide?
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide has a molecular weight of 376.22 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide is sourced from PubChem (CID 75531292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).