2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine

C17H22N2O2 — CID 90047101

IUPAC2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine
SMILESCOCCOc1ccc(-c2ccc(C(C)(C)N)nc2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,18)16-9-6-14(12-19-16)13-4-7-15(8-5-13)21-11-10-20-3/h4-9,12H,10-11,18H2,1-3H3
InChIKeyWLTFKUCCBLBKMP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds6

About 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine

2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine (PubChem CID 90047101) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine
PubChem CID90047101
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine
SMILESCOCCOc1ccc(-c2ccc(C(C)(C)N)nc2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,18)16-9-6-14(12-19-16)13-4-7-15(8-5-13)21-11-10-20-3/h4-9,12H,10-11,18H2,1-3H3
InChIKeyWLTFKUCCBLBKMP-UHFFFAOYSA-N
XLogP2.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine?
The IUPAC name of 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine (CID 90047101) is 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine is COCCOc1ccc(-c2ccc(C(C)(C)N)nc2)cc1.
What is the InChIKey of 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine?
The InChIKey is WLTFKUCCBLBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,18)16-9-6-14(12-19-16)13-4-7-15(8-5-13)21-11-10-20-3/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine?
2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 90047101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).