2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol

C16H21N3O — CID 62895526

IUPAC2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol
SMILESNCc1ncccc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H21N3O/c17-11-16-15(7-4-8-18-16)13-19(9-10-20)12-14-5-2-1-3-6-14/h1-8,20H,9-13,17H2
InChIKeyKLBBZJGLKMJOGC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.53
Rot. Bonds7

About 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol

2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol (PubChem CID 62895526) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol
PubChem CID62895526
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol
SMILESNCc1ncccc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H21N3O/c17-11-16-15(7-4-8-18-16)13-19(9-10-20)12-14-5-2-1-3-6-14/h1-8,20H,9-13,17H2
InChIKeyKLBBZJGLKMJOGC-UHFFFAOYSA-N
XLogP1.53
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
N-benzyl-N-[(2-chloro-3-pyridinyl)methyl]-1-phenylmethanamine
CID 52837040
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[(2-amino-3-pyridinyl)methyl-ethylamino]ethanol
CID 62472272
2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
CID 62892350
[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol (CID 62895526) is 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol is NCc1ncccc1CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol?
The InChIKey is KLBBZJGLKMJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-16-15(7-4-8-18-16)13-19(9-10-20)12-14-5-2-1-3-6-14/h1-8,20H,9-13,17H2.
What are the key properties of 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol?
2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-pyridinyl]methyl-benzylamino]ethanol is sourced from PubChem (CID 62895526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).