2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride

C15H19ClN2O — CID 131878906

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride
SMILESCc1cc(C)nc(NCC(O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-11-8-12(2)17-15(9-11)16-10-14(18)13-6-4-3-5-7-13;/h3-9,14,18H,10H2,1-2H3,(H,16,17);1H
InChIKeyGKYLKULRGLBFLM-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.27
Rot. Bonds4

About 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride

2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride (PubChem CID 131878906) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride
PubChem CID131878906
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride
SMILESCc1cc(C)nc(NCC(O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-11-8-12(2)17-15(9-11)16-10-14(18)13-6-4-3-5-7-13;/h3-9,14,18H,10H2,1-2H3,(H,16,17);1H
InChIKeyGKYLKULRGLBFLM-UHFFFAOYSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride (CID 131878906) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride is Cc1cc(C)nc(NCC(O)c2ccccc2)c1.Cl.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride?
The InChIKey is GKYLKULRGLBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-11-8-12(2)17-15(9-11)16-10-14(18)13-6-4-3-5-7-13;/h3-9,14,18H,10H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride?
2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)amino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 131878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).