(1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol

C10H16N2O — CID 12776702

IUPAC(1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](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/t8-,10-/m0/s1
InChIKeyUDOPVWKLUOHIID-WPRPVWTQSA-N
MW180.25 g/mol
LogP0.91
Rot. Bonds3

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

(1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 12776702) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol
PubChem CID12776702
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](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/t8-,10-/m0/s1
InChIKeyUDOPVWKLUOHIID-WPRPVWTQSA-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 (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol (CID 12776702) is (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)N(C)N.
What is the InChIKey of (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is UDOPVWKLUOHIID-WPRPVWTQSA-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/t8-,10-/m0/s1.
What are the key properties of (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol?
(1R,2S)-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 (1R,2S)-2-[amino(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 12776702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).