N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine

C20H31F3N2O2 — CID 119106703

IUPACN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(CC(C)C)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H31F3N2O2/c1-4-26-19-11-16(5-6-18(19)27-14-20(21,22)23)12-24-17-7-9-25(10-8-17)13-15(2)3/h5-6,11,15,17,24H,4,7-10,12-14H2,1-3H3
InChIKeyDHCGEHNENRAMRZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.24
Rot. Bonds9

About N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 119106703) has the molecular formula C20H31F3N2O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID119106703
Molecular FormulaC20H31F3N2O2
Molecular Weight388.47 g/mol
Exact Mass388.23
IUPAC NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(CC(C)C)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H31F3N2O2/c1-4-26-19-11-16(5-6-18(19)27-14-20(21,22)23)12-24-17-7-9-25(10-8-17)13-15(2)3/h5-6,11,15,17,24H,4,7-10,12-14H2,1-3H3
InChIKeyDHCGEHNENRAMRZ-UHFFFAOYSA-N
XLogP4.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
CID 119106660
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 111332801
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
CID 170995014
N-[[4-[(E)-but-2-enoxy]-3-ethoxyphenyl]methyl]cyclopropanamine
CID 60881654
N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882032
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 119106703) is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine is CCOc1cc(CNC2CCN(CC(C)C)CC2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is DHCGEHNENRAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N2O2/c1-4-26-19-11-16(5-6-18(19)27-14-20(21,22)23)12-24-17-7-9-25(10-8-17)13-15(2)3/h5-6,11,15,17,24H,4,7-10,12-14H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 388.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 119106703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).