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

C11H18N2O2 — CID 115120623

IUPAC2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccccc1CNCC(N)CO
InChIInChI=1S/C11H18N2O2/c1-15-11-5-3-2-4-9(11)6-13-7-10(12)8-14/h2-5,10,13-14H,6-8,12H2,1H3
InChIKeyODTHNBLUJVKAER-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.10
Rot. Bonds6

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

2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 115120623) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
PubChem CID115120623
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccccc1CNCC(N)CO
InChIInChI=1S/C11H18N2O2/c1-15-11-5-3-2-4-9(11)6-13-7-10(12)8-14/h2-5,10,13-14H,6-8,12H2,1H3
InChIKeyODTHNBLUJVKAER-UHFFFAOYSA-N
XLogP0.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 83960655
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol (CID 115120623) is 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol is COc1ccccc1CNCC(N)CO.
What is the InChIKey of 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is ODTHNBLUJVKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11-5-3-2-4-9(11)6-13-7-10(12)8-14/h2-5,10,13-14H,6-8,12H2,1H3.
What are the key properties of 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115120623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).