1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol

C17H22N2O — CID 115940436

IUPAC1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
SMILESCCc1ccc(N(C)c2ccc(C(O)CC)nc2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12,17,20H,4-5H2,1-3H3
InChIKeyVZQHPZOMORCEPI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.86
Rot. Bonds5

About 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol

1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol (PubChem CID 115940436) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
PubChem CID115940436
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
SMILESCCc1ccc(N(C)c2ccc(C(O)CC)nc2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12,17,20H,4-5H2,1-3H3
InChIKeyVZQHPZOMORCEPI-UHFFFAOYSA-N
XLogP3.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol (CID 115940436) is 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol is CCc1ccc(N(C)c2ccc(C(O)CC)nc2)cc1.
What is the InChIKey of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol?
The InChIKey is VZQHPZOMORCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-16(18-12-15)17(20)5-2/h6-12,17,20H,4-5H2,1-3H3.
What are the key properties of 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol?
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).