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

C15H18ClN3O — CID 62892350

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
SMILESNc1ccc(Cl)c(CN(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2,(H2,17,18)
InChIKeyMXOYLSOITRABPV-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.31
Rot. Bonds6

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

2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol (PubChem CID 62892350) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
PubChem CID62892350
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
SMILESNc1ccc(Cl)c(CN(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2,(H2,17,18)
InChIKeyMXOYLSOITRABPV-UHFFFAOYSA-N
XLogP2.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
CID 62890943
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
CID 62892716
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
4-[[benzyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 62116338

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol (CID 62892350) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol is Nc1ccc(Cl)c(CN(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol?
The InChIKey is MXOYLSOITRABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2,(H2,17,18).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol has a molecular weight of 291.78 g/mol, XLogP of 2.31, 6 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-benzylamino]ethanol is sourced from PubChem (CID 62892350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).