(2R)-1-azido-1-phenylpropan-2-amine

C9H12N4 — CID 118411737

IUPAC(2R)-1-azido-1-phenylpropan-2-amine
SMILESC[C@@H](N)C(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H12N4/c1-7(10)9(12-13-11)8-5-3-2-4-6-8/h2-7,9H,10H2,1H3/t7-,9?/m1/s1
InChIKeyKDGAZLZBEXOPFG-YOXFSPIKSA-N
MW176.22 g/mol
LogP2.39
Rot. Bonds3

About (2R)-1-azido-1-phenylpropan-2-amine

(2R)-1-azido-1-phenylpropan-2-amine (PubChem CID 118411737) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2R)-1-azido-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-azido-1-phenylpropan-2-amine
PubChem CID118411737
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(2R)-1-azido-1-phenylpropan-2-amine
SMILESC[C@@H](N)C(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H12N4/c1-7(10)9(12-13-11)8-5-3-2-4-6-8/h2-7,9H,10H2,1H3/t7-,9?/m1/s1
InChIKeyKDGAZLZBEXOPFG-YOXFSPIKSA-N
XLogP2.39
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R)-1-azido-1-phenylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330
(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
azido(phenyl)methanol
CID 59611949
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
[azido(fluoro)methyl]benzene
CID 123240072
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
butyl 3-azido-2-hydroxy-3-phenylpropanoate
CID 20606299
1-azidoethylbenzene;rutherfordium
CID 164682977
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200

Frequently Asked Questions

What is the IUPAC name of (2R)-1-azido-1-phenylpropan-2-amine?
The IUPAC name of (2R)-1-azido-1-phenylpropan-2-amine (CID 118411737) is (2R)-1-azido-1-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-azido-1-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-azido-1-phenylpropan-2-amine is C[C@@H](N)C(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of (2R)-1-azido-1-phenylpropan-2-amine?
The InChIKey is KDGAZLZBEXOPFG-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H12N4/c1-7(10)9(12-13-11)8-5-3-2-4-6-8/h2-7,9H,10H2,1H3/t7-,9?/m1/s1.
What are the key properties of (2R)-1-azido-1-phenylpropan-2-amine?
(2R)-1-azido-1-phenylpropan-2-amine has a molecular weight of 176.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-azido-1-phenylpropan-2-amine is sourced from PubChem (CID 118411737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).