3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol

C11H18N2O2 — CID 105464162

IUPAC3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CO)CN(C)N
InChIInChI=1S/C11H18N2O2/c1-13(12)7-9(8-14)10-5-3-4-6-11(10)15-2/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyMGAKTCCVJSQHGW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.58
Rot. Bonds5

About 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol

3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 105464162) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol
PubChem CID105464162
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CO)CN(C)N
InChIInChI=1S/C11H18N2O2/c1-13(12)7-9(8-14)10-5-3-4-6-11(10)15-2/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyMGAKTCCVJSQHGW-UHFFFAOYSA-N
XLogP0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
3-(2-methoxyphenyl)pentanediamide
CID 20546356
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
CID 51050664
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749678
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627

Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol (CID 105464162) is 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(CO)CN(C)N.
What is the InChIKey of 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is MGAKTCCVJSQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(12)7-9(8-14)10-5-3-4-6-11(10)15-2/h3-6,9,14H,7-8,12H2,1-2H3.
What are the key properties of 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol?
3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 105464162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).