1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol

C13H22N2O — CID 79384049

IUPAC1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1CN
InChIInChI=1S/C13H22N2O/c1-4-15(10-13(2,3)16)12-8-6-5-7-11(12)9-14/h5-8,16H,4,9-10,14H2,1-3H3
InChIKeyYZPHVKKSBMYUGL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol

1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol (PubChem CID 79384049) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
PubChem CID79384049
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1CN
InChIInChI=1S/C13H22N2O/c1-4-15(10-13(2,3)16)12-8-6-5-7-11(12)9-14/h5-8,16H,4,9-10,14H2,1-3H3
InChIKeyYZPHVKKSBMYUGL-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol (CID 79384049) is 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol?
The InChIKey is YZPHVKKSBMYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(10-13(2,3)16)12-8-6-5-7-11(12)9-14/h5-8,16H,4,9-10,14H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol?
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).