N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

C13H19F3N2O — CID 65338803

IUPACN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1ccc(OC)c(CN)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-3-18(9-13(14,15)16)8-10-4-5-12(19-2)11(6-10)7-17/h4-6H,3,7-9,17H2,1-2H3
InChIKeyPCIVYYSSJURQOA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.54
Rot. Bonds6

About N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 65338803) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID65338803
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1ccc(OC)c(CN)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-3-18(9-13(14,15)16)8-10-4-5-12(19-2)11(6-10)7-17/h4-6H,3,7-9,17H2,1-2H3
InChIKeyPCIVYYSSJURQOA-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62019836
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
N-(2-chloroethyl)-N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 107489039
2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485867
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 65338803) is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1ccc(OC)c(CN)c1)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is PCIVYYSSJURQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18(9-13(14,15)16)8-10-4-5-12(19-2)11(6-10)7-17/h4-6H,3,7-9,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 276.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).