N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine

C19H33N3O — CID 155109476

IUPACN-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H33N3O/c1-5-23-15-14-21-10-12-22(13-11-21)18-8-6-17(7-9-18)16-20-19(2,3)4/h6-9,20H,5,10-16H2,1-4H3
InChIKeyGYOQJOKKBADSGS-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.73
Rot. Bonds7

About N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 155109476) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID155109476
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H33N3O/c1-5-23-15-14-21-10-12-22(13-11-21)18-8-6-17(7-9-18)16-20-19(2,3)4/h6-9,20H,5,10-16H2,1-4H3
InChIKeyGYOQJOKKBADSGS-UHFFFAOYSA-N
XLogP2.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine
CID 135179274
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058487
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63069986
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
3-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanal
CID 87693965
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[4-(2-ethoxyethyl)piperazin-1-yl]benzamide
CID 11619941

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine (CID 155109476) is N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine is CCOCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.
What is the InChIKey of N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GYOQJOKKBADSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-5-23-15-14-21-10-12-22(13-11-21)18-8-6-17(7-9-18)16-20-19(2,3)4/h6-9,20H,5,10-16H2,1-4H3.
What are the key properties of N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 319.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 155109476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).