1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine

C17H28N2O — CID 63817795

IUPAC1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
SMILESCCOC1CCCN(c2ccc(CC(C)N)c(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-4-20-17-6-5-9-19(12-17)16-8-7-15(11-14(3)18)13(2)10-16/h7-8,10,14,17H,4-6,9,11-12,18H2,1-3H3
InChIKeyCYLUIWPUXQSBTE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine

1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine (PubChem CID 63817795) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
PubChem CID63817795
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
SMILESCCOC1CCCN(c2ccc(CC(C)N)c(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-4-20-17-6-5-9-19(12-17)16-8-7-15(11-14(3)18)13(2)10-16/h7-8,10,14,17H,4-6,9,11-12,18H2,1-3H3
InChIKeyCYLUIWPUXQSBTE-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63815162
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
CID 81281915
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
CID 102624103
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine (CID 63817795) is 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine is CCOC1CCCN(c2ccc(CC(C)N)c(C)c2)C1.
What is the InChIKey of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is CYLUIWPUXQSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17-6-5-9-19(12-17)16-8-7-15(11-14(3)18)13(2)10-16/h7-8,10,14,17H,4-6,9,11-12,18H2,1-3H3.
What are the key properties of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine?
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63817795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).