1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride

C14H17ClN2O — CID 2996949

IUPAC1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride
SMILESCl.OC(CNCc1ccncc1)c1ccccc1
InChIInChI=1S/C14H16N2O.ClH/c17-14(13-4-2-1-3-5-13)11-16-10-12-6-8-15-9-7-12;/h1-9,14,16-17H,10-11H2;1H
InChIKeyLMIRYVJKQZVULB-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.33
Rot. Bonds5

About 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride

1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride (PubChem CID 2996949) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride
PubChem CID2996949
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride
SMILESCl.OC(CNCc1ccncc1)c1ccccc1
InChIInChI=1S/C14H16N2O.ClH/c17-14(13-4-2-1-3-5-13)11-16-10-12-6-8-15-9-7-12;/h1-9,14,16-17H,10-11H2;1H
InChIKeyLMIRYVJKQZVULB-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9470
CID 9470
CID 234839
CID 234839
CID 6437831
CID 6437831
CID 9469
CID 9469
CID 98305
CID 98305
CID 74177
CID 74177
CID 13762804
CID 13762804
CID 238376
CID 238376
CID 303194
CID 303194
CID 3383504
CID 3383504
CID 96307
CID 96307
CID 86883
CID 86883

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride (CID 2996949) is 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride is Cl.OC(CNCc1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride?
The InChIKey is LMIRYVJKQZVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c17-14(13-4-2-1-3-5-13)11-16-10-12-6-8-15-9-7-12;/h1-9,14,16-17H,10-11H2;1H.
What are the key properties of 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride?
1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(pyridin-4-ylmethylamino)ethanol;hydrochloride is sourced from PubChem (CID 2996949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).