1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

C13H22N2O2 — CID 81149954

IUPAC1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1cc(N)cc(CN(C)CC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-5-11(14)7-12(6-10)17-4/h5-7,16H,8-9,14H2,1-4H3
InChIKeyOWIRXKXZVTVCDM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds5

About 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 81149954) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID81149954
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1cc(N)cc(CN(C)CC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-5-11(14)7-12(6-10)17-4/h5-7,16H,8-9,14H2,1-4H3
InChIKeyOWIRXKXZVTVCDM-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475510
4-[(3-amino-5-methoxyphenyl)methyl-methylamino]butan-2-ol
CID 113499528
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991518
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 111824359
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (CID 81149954) is 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is COc1cc(N)cc(CN(C)CC(C)(C)O)c1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is OWIRXKXZVTVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-5-11(14)7-12(6-10)17-4/h5-7,16H,8-9,14H2,1-4H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 81149954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).