2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol

C13H22N2O2 — CID 65380128

IUPAC2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
SMILESCOc1ccccc1CC(C)(CN)NCCO
InChIInChI=1S/C13H22N2O2/c1-13(10-14,15-7-8-16)9-11-5-3-4-6-12(11)17-2/h3-6,15-16H,7-10,14H2,1-2H3
InChIKeyWOJVIKZTQNVDCY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.54
Rot. Bonds7

About 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol

2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol (PubChem CID 65380128) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
PubChem CID65380128
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
SMILESCOc1ccccc1CC(C)(CN)NCCO
InChIInChI=1S/C13H22N2O2/c1-13(10-14,15-7-8-16)9-11-5-3-4-6-12(11)17-2/h3-6,15-16H,7-10,14H2,1-2H3
InChIKeyWOJVIKZTQNVDCY-UHFFFAOYSA-N
XLogP0.54
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-N-(2-bromophenyl)-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383861
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
2-anilino-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61047342
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol (CID 65380128) is 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol is COc1ccccc1CC(C)(CN)NCCO.
What is the InChIKey of 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol?
The InChIKey is WOJVIKZTQNVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(10-14,15-7-8-16)9-11-5-3-4-6-12(11)17-2/h3-6,15-16H,7-10,14H2,1-2H3.
What are the key properties of 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol?
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 65380128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).