4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol

C14H17N3O — CID 80798348

IUPAC4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
SMILESCNc1cccc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O/c1-15-13-3-2-4-14(17-13)16-10-9-11-5-7-12(18)8-6-11/h2-8,18H,9-10H2,1H3,(H2,15,16,17)
InChIKeyDQQVVKZXCSRVGK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.48
Rot. Bonds5

About 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol

4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol (PubChem CID 80798348) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
PubChem CID80798348
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
SMILESCNc1cccc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O/c1-15-13-3-2-4-14(17-13)16-10-9-11-5-7-12(18)8-6-11/h2-8,18H,9-10H2,1H3,(H2,15,16,17)
InChIKeyDQQVVKZXCSRVGK-UHFFFAOYSA-N
XLogP2.48
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol (CID 80798348) is 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol is CNc1cccc(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol?
The InChIKey is DQQVVKZXCSRVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-13-3-2-4-14(17-13)16-10-9-11-5-7-12(18)8-6-11/h2-8,18H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol?
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol is sourced from PubChem (CID 80798348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).