1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol

C10H16N2O2 — CID 130000045

IUPAC1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(N)c(C(N)C(C)O)c1
InChIInChI=1S/C10H16N2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,11-12H2,1-2H3
InChIKeyXTRPLZZLMYXYIO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.66
Rot. Bonds3

About 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol

1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol (PubChem CID 130000045) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
PubChem CID130000045
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(N)c(C(N)C(C)O)c1
InChIInChI=1S/C10H16N2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,11-12H2,1-2H3
InChIKeyXTRPLZZLMYXYIO-UHFFFAOYSA-N
XLogP0.66
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
2-(2-amino-5-methoxyphenyl)propanenitrile
CID 10464838
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol (CID 130000045) is 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol is COc1ccc(N)c(C(N)C(C)O)c1.
What is the InChIKey of 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol?
The InChIKey is XTRPLZZLMYXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,11-12H2,1-2H3.
What are the key properties of 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol?
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130000045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).