2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol

C11H18N2O2 — CID 102813585

IUPAC2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c12-9-10-2-1-3-11(8-10)13(4-6-14)5-7-15/h1-3,8,14-15H,4-7,9,12H2
InChIKeyFJYUFKONWAQSPX-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.06
Rot. Bonds6

About 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol

2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 102813585) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID102813585
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c12-9-10-2-1-3-11(8-10)13(4-6-14)5-7-15/h1-3,8,14-15H,4-7,9,12H2
InChIKeyFJYUFKONWAQSPX-UHFFFAOYSA-N
XLogP-0.06
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
3-[3-(aminomethyl)-N-[4-(4-aminophenyl)butyl]anilino]propan-1-ol
CID 21217870
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanenitrile
CID 54327955
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 91344264
1-[3-(aminomethyl)phenyl]-1-fluorourea
CID 174941242
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
[3-(aminomethyl)phenyl]-(trifluoromethyl)carbamic acid
CID 67958017

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol (CID 102813585) is 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol is NCc1cccc(N(CCO)CCO)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is FJYUFKONWAQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-9-10-2-1-3-11(8-10)13(4-6-14)5-7-15/h1-3,8,14-15H,4-7,9,12H2.
What are the key properties of 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 102813585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).