N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

C18H18F5NO2 — CID 119123734

IUPACN-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCCOc1cc(CNCc2cc(F)ccc2F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H18F5NO2/c1-2-25-17-7-12(3-6-16(17)26-11-18(21,22)23)9-24-10-13-8-14(19)4-5-15(13)20/h3-8,24H,2,9-11H2,1H3
InChIKeyDCKCAFSUBTZGGJ-UHFFFAOYSA-N
MW375.34 g/mol
LogP4.59
Rot. Bonds8

About N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 119123734) has the molecular formula C18H18F5NO2 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID119123734
Molecular FormulaC18H18F5NO2
Molecular Weight375.34 g/mol
Exact Mass375.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCCOc1cc(CNCc2cc(F)ccc2F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H18F5NO2/c1-2-25-17-7-12(3-6-16(17)26-11-18(21,22)23)9-24-10-13-8-14(19)4-5-15(13)20/h3-8,24H,2,9-11H2,1H3
InChIKeyDCKCAFSUBTZGGJ-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
1-[(2,5-difluorophenyl)methyl]-3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylguanidine
CID 111903259
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
1-[(2,5-difluorophenyl)methyl]-3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111903258
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
3-[[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]methyl]-N-methylbenzamide
CID 119106804
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119106619
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 111332801
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 119106608
N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696982
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 119123734) is N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is CCOc1cc(CNCc2cc(F)ccc2F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is DCKCAFSUBTZGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5NO2/c1-2-25-17-7-12(3-6-16(17)26-11-18(21,22)23)9-24-10-13-8-14(19)4-5-15(13)20/h3-8,24H,2,9-11H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 375.34 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 119123734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).