2-[1-aminopropan-2-yl(benzyl)amino]ethanol

C12H20N2O — CID 62116860

IUPAC2-[1-aminopropan-2-yl(benzyl)amino]ethanol
SMILESCC(CN)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(9-13)14(7-8-15)10-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3
InChIKeyUGQCDIFHIJRNLV-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.83
Rot. Bonds6

About 2-[1-aminopropan-2-yl(benzyl)amino]ethanol

2-[1-aminopropan-2-yl(benzyl)amino]ethanol (PubChem CID 62116860) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[1-aminopropan-2-yl(benzyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminopropan-2-yl(benzyl)amino]ethanol
PubChem CID62116860
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[1-aminopropan-2-yl(benzyl)amino]ethanol
SMILESCC(CN)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(9-13)14(7-8-15)10-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3
InChIKeyUGQCDIFHIJRNLV-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol
CID 62115276
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropan-2-yl(benzyl)amino]ethanol?
The IUPAC name of 2-[1-aminopropan-2-yl(benzyl)amino]ethanol (CID 62116860) is 2-[1-aminopropan-2-yl(benzyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminopropan-2-yl(benzyl)amino]ethanol?
The canonical SMILES for 2-[1-aminopropan-2-yl(benzyl)amino]ethanol is CC(CN)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[1-aminopropan-2-yl(benzyl)amino]ethanol?
The InChIKey is UGQCDIFHIJRNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(9-13)14(7-8-15)10-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3.
What are the key properties of 2-[1-aminopropan-2-yl(benzyl)amino]ethanol?
2-[1-aminopropan-2-yl(benzyl)amino]ethanol has a molecular weight of 208.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropan-2-yl(benzyl)amino]ethanol is sourced from PubChem (CID 62116860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).