2-[amino(methyl)amino]-1-phenylpropan-1-ol

C10H16N2O — CID 15812

IUPAC2-[amino(methyl)amino]-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N(C)N
InChIInChI=1S/C10H16N2O/c1-8(12(2)11)10(13)9-6-4-3-5-7-9/h3-8,10,13H,11H2,1-2H3
InChIKeyUDOPVWKLUOHIID-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.91
Rot. Bonds3

About 2-[amino(methyl)amino]-1-phenylpropan-1-ol

2-[amino(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 15812) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[amino(methyl)amino]-1-phenylpropan-1-ol
PubChem CID15812
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[amino(methyl)amino]-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N(C)N
InChIInChI=1S/C10H16N2O/c1-8(12(2)11)10(13)9-6-4-3-5-7-9/h3-8,10,13H,11H2,1-2H3
InChIKeyUDOPVWKLUOHIID-UHFFFAOYSA-N
XLogP0.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[amino(methyl)amino]-1-phenylpropan-1-ol (CID 15812) is 2-[amino(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[amino(methyl)amino]-1-phenylpropan-1-ol is CC(C(O)c1ccccc1)N(C)N.
What is the InChIKey of 2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is UDOPVWKLUOHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(12(2)11)10(13)9-6-4-3-5-7-9/h3-8,10,13H,11H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-1-phenylpropan-1-ol?
2-[amino(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 15812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).