1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol

C12H20N2O2 — CID 62333055

IUPAC1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(C)O)cc1N
InChIInChI=1S/C12H20N2O2/c1-9(15)7-14(2)8-10-4-5-12(16-3)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeyODLYPSUDPLZYHO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.09
Rot. Bonds5

About 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol

1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 62333055) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID62333055
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(C)O)cc1N
InChIInChI=1S/C12H20N2O2/c1-9(15)7-14(2)8-10-4-5-12(16-3)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeyODLYPSUDPLZYHO-UHFFFAOYSA-N
XLogP1.09
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.09
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-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
N'-hydroxy-4-[[2-hydroxypropyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106789378
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 54991879
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910782
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol (CID 62333055) is 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol is COc1ccc(CN(C)CC(C)O)cc1N.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is ODLYPSUDPLZYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)7-14(2)8-10-4-5-12(16-3)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol?
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62333055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).