2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol

C11H18ClN3O — CID 62890496

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(N)ccc1Cl
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)7-10-9(12)3-4-11(13)14-10/h3-4,8,16H,5-7H2,1-2H3,(H2,13,14)
InChIKeyPJLFEKCHSCXJFX-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.52
Rot. Bonds5

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol

2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol (PubChem CID 62890496) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
PubChem CID62890496
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(N)ccc1Cl
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)7-10-9(12)3-4-11(13)14-10/h3-4,8,16H,5-7H2,1-2H3,(H2,13,14)
InChIKeyPJLFEKCHSCXJFX-UHFFFAOYSA-N
XLogP1.52
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol (CID 62890496) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is PJLFEKCHSCXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)7-10-9(12)3-4-11(13)14-10/h3-4,8,16H,5-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 243.74 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62890496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).