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

C19H22F3NO3 — CID 119106543

IUPAC1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOc1cc(CNCc2ccccc2OC)ccc1OCC(F)(F)F
InChIInChI=1S/C19H22F3NO3/c1-3-25-18-10-14(8-9-17(18)26-13-19(20,21)22)11-23-12-15-6-4-5-7-16(15)24-2/h4-10,23H,3,11-13H2,1-2H3
InChIKeyQGNNBEKKRWZKPC-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.32
Rot. Bonds9

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

1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 119106543) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID119106543
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOc1cc(CNCc2ccccc2OC)ccc1OCC(F)(F)F
InChIInChI=1S/C19H22F3NO3/c1-3-25-18-10-14(8-9-17(18)26-13-19(20,21)22)11-23-12-15-6-4-5-7-16(15)24-2/h4-10,23H,3,11-13H2,1-2H3
InChIKeyQGNNBEKKRWZKPC-UHFFFAOYSA-N
XLogP4.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119123734
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119106619
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
3-[[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]methyl]-N-methylbenzamide
CID 119106804
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208159
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119122871

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine (CID 119106543) is 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine is CCOc1cc(CNCc2ccccc2OC)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is QGNNBEKKRWZKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-3-25-18-10-14(8-9-17(18)26-13-19(20,21)22)11-23-12-15-6-4-5-7-16(15)24-2/h4-10,23H,3,11-13H2,1-2H3.
What are the key properties of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine?
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 369.38 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119106543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).