N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine

C14H20F3NO — CID 103435635

IUPACN-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1OC)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-5-8-18-13(14(15,16)17)11-7-6-9(2)10(3)12(11)19-4/h6-7,13,18H,5,8H2,1-4H3
InChIKeyVZZJTGIJVVNXCR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.92
Rot. Bonds5

About N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine

N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 103435635) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID103435635
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1OC)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-5-8-18-13(14(15,16)17)11-7-6-9(2)10(3)12(11)19-4/h6-7,13,18H,5,8H2,1-4H3
InChIKeyVZZJTGIJVVNXCR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2,2-trifluoro-1-(2,3,4-trimethoxyphenyl)ethyl]propan-1-amine
CID 43589079
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]propan-1-amine
CID 66204572
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103435224

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine (CID 103435635) is N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1OC)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is VZZJTGIJVVNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-5-8-18-13(14(15,16)17)11-7-6-9(2)10(3)12(11)19-4/h6-7,13,18H,5,8H2,1-4H3.
What are the key properties of N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103435635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).