1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine

C17H28N2O — CID 60934851

IUPAC1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2ccccc2OCC(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-4-19-11-9-15(10-12-19)18-16-7-5-6-8-17(16)20-13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyDGDFRUXOLLHKSW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.62
Rot. Bonds6

About 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine

1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine (PubChem CID 60934851) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
PubChem CID60934851
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2ccccc2OCC(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-4-19-11-9-15(10-12-19)18-16-7-5-6-8-17(16)20-13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyDGDFRUXOLLHKSW-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
N-[2-(2,2-difluoroethoxy)phenyl]-1-methoxypiperidin-4-amine
CID 154783141
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine
CID 65073239
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine (CID 60934851) is 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine is CCN1CCC(Nc2ccccc2OCC(C)C)CC1.
What is the InChIKey of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine?
The InChIKey is DGDFRUXOLLHKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19-11-9-15(10-12-19)18-16-7-5-6-8-17(16)20-13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine?
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 60934851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).