2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride

C15H20Cl2N2O — CID 11587721

IUPAC2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc(C(O)CNCc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C15H18N2O.2ClH/c1-12-7-8-14(10-17-12)15(18)11-16-9-13-5-3-2-4-6-13;;/h2-8,10,15-16,18H,9,11H2,1H3;2*1H
InChIKeySOPIWIHRUAFVGG-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.06
Rot. Bonds5

About 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride

2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride (PubChem CID 11587721) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
PubChem CID11587721
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc(C(O)CNCc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C15H18N2O.2ClH/c1-12-7-8-14(10-17-12)15(18)11-16-9-13-5-3-2-4-6-13;;/h2-8,10,15-16,18H,9,11H2,1H3;2*1H
InChIKeySOPIWIHRUAFVGG-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 19079290
(2S)-1-(benzylamino)propan-2-ol
CID 964914

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The IUPAC name of 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride (CID 11587721) is 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride.
What is the SMILES notation for 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The canonical SMILES for 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride is Cc1ccc(C(O)CNCc2ccccc2)cn1.Cl.Cl.
What is the InChIKey of 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The InChIKey is SOPIWIHRUAFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.2ClH/c1-12-7-8-14(10-17-12)15(18)11-16-9-13-5-3-2-4-6-13;;/h2-8,10,15-16,18H,9,11H2,1H3;2*1H.
What are the key properties of 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride has a molecular weight of 315.24 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride is sourced from PubChem (CID 11587721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).