(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol

C10H16N2O — CID 54440615

IUPAC(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1cccc(N)c1
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-6-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m1/s1
InChIKeyWNVGCVVZTNMAJP-MRVPVSSYSA-N
MW180.25 g/mol
LogP0.74
Rot. Bonds4

About (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol

(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol (PubChem CID 54440615) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol
PubChem CID54440615
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1cccc(N)c1
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-6-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m1/s1
InChIKeyWNVGCVVZTNMAJP-MRVPVSSYSA-N
XLogP0.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol (CID 54440615) is (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1cccc(N)c1.
What is the InChIKey of (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol?
The InChIKey is WNVGCVVZTNMAJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(7-13)12-6-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol?
(2R)-2-[(3-aminophenyl)methylamino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 54440615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).