2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine

C18H23F3N2O2 — CID 161269698

IUPAC2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(CCN)c1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H15NO2.C8H8F3N/c1-12-9-3-4-10(13-2)8(7-9)5-6-11;9-8(10,11)7-3-1-6(5-12)2-4-7/h3-4,7H,5-6,11H2,1-2H3;1-4H,5,12H2
InChIKeyVDQNMPHYRDPQCK-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.37
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine

2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 161269698) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
PubChem CID161269698
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(CCN)c1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H15NO2.C8H8F3N/c1-12-9-3-4-10(13-2)8(7-9)5-6-11;9-8(10,11)7-3-1-6(5-12)2-4-7/h3-4,7H,5-6,11H2,1-2H3;1-4H,5,12H2
InChIKeyVDQNMPHYRDPQCK-UHFFFAOYSA-N
XLogP3.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine (CID 161269698) is 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine is COc1ccc(OC)c(CCN)c1.NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VDQNMPHYRDPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C8H8F3N/c1-12-9-3-4-10(13-2)8(7-9)5-6-11;9-8(10,11)7-3-1-6(5-12)2-4-7/h3-4,7H,5-6,11H2,1-2H3;1-4H,5,12H2.
What are the key properties of 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 356.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 161269698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).