2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol

C16H22N2O2 — CID 62115276

IUPAC2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol
SMILESCc1ccc(C(CN)N(CCO)Cc2ccccc2)o1
InChIInChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)15(11-17)18(9-10-19)12-14-5-3-2-4-6-14/h2-8,15,19H,9-12,17H2,1H3
InChIKeyFTSKVCKHMPBOHX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds7

About 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol

2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol (PubChem CID 62115276) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol
PubChem CID62115276
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol
SMILESCc1ccc(C(CN)N(CCO)Cc2ccccc2)o1
InChIInChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)15(11-17)18(9-10-19)12-14-5-3-2-4-6-14/h2-8,15,19H,9-12,17H2,1H3
InChIKeyFTSKVCKHMPBOHX-UHFFFAOYSA-N
XLogP2.08
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol
CID 114243000
1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 61377688
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
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol
CID 55018185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol (CID 62115276) is 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol is Cc1ccc(C(CN)N(CCO)Cc2ccccc2)o1.
What is the InChIKey of 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol?
The InChIKey is FTSKVCKHMPBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)15(11-17)18(9-10-19)12-14-5-3-2-4-6-14/h2-8,15,19H,9-12,17H2,1H3.
What are the key properties of 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol?
2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-benzylamino]ethanol is sourced from PubChem (CID 62115276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).