1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol

C15H26N2O — CID 103959017

IUPAC1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
SMILESCC[C@@H](N)c1ccccc1N(CC)CC(C)(C)O
InChIInChI=1S/C15H26N2O/c1-5-13(16)12-9-7-8-10-14(12)17(6-2)11-15(3,4)18/h7-10,13,18H,5-6,11,16H2,1-4H3/t13-/m1/s1
InChIKeyKQLUEGYNDFNIBT-CYBMUJFWSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol

1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol (PubChem CID 103959017) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
PubChem CID103959017
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
SMILESCC[C@@H](N)c1ccccc1N(CC)CC(C)(C)O
InChIInChI=1S/C15H26N2O/c1-5-13(16)12-9-7-8-10-14(12)17(6-2)11-15(3,4)18/h7-10,13,18H,5-6,11,16H2,1-4H3/t13-/m1/s1
InChIKeyKQLUEGYNDFNIBT-CYBMUJFWSA-N
XLogP2.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol (CID 103959017) is 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol is CC[C@@H](N)c1ccccc1N(CC)CC(C)(C)O.
What is the InChIKey of 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol?
The InChIKey is KQLUEGYNDFNIBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(16)12-9-7-8-10-14(12)17(6-2)11-15(3,4)18/h7-10,13,18H,5-6,11,16H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol?
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 103959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).