azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride

C11H23Cl3N2O — CID 173052639

IUPACazane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
SMILESCN[C@@H](C)Cc1ccccc1.Cl.ClCCl.N.O
InChIInChI=1S/C10H15N.CH2Cl2.ClH.H3N.H2O/c1-9(11-2)8-10-6-4-3-5-7-10;2-1-3;;;/h3-7,9,11H,8H2,1-2H3;1H2;1H;1H3;1H2/t9-;;;;/m0..../s1
InChIKeyQNKDXUBZDLRDAQ-ZWACTXNCSA-N
MW305.68 g/mol
LogP3.02
Rot. Bonds3

About azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride

azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride (PubChem CID 173052639) has the molecular formula C11H23Cl3N2O and a molecular weight of 305.68 g/mol. Its IUPAC name is azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Nameazane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
PubChem CID173052639
Molecular FormulaC11H23Cl3N2O
Molecular Weight305.68 g/mol
Exact Mass304.09
IUPAC Nameazane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
SMILESCN[C@@H](C)Cc1ccccc1.Cl.ClCCl.N.O
InChIInChI=1S/C10H15N.CH2Cl2.ClH.H3N.H2O/c1-9(11-2)8-10-6-4-3-5-7-10;2-1-3;;;/h3-7,9,11H,8H2,1-2H3;1H2;1H;1H3;1H2/t9-;;;;/m0..../s1
InChIKeyQNKDXUBZDLRDAQ-ZWACTXNCSA-N
XLogP3.02
TPSA78.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.68
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride 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

N-methyl-1-phenylpropan-2-amine
CID 118309477
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
CID 143236357
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
CID 69021871
(2S)-1-(2,6-ditritiophenyl)-N-methylpropan-2-amine
CID 44607335
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
(1-phenylpropan-2-ylamino)methanol
CID 54463712

Frequently Asked Questions

What is the IUPAC name of azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride?
The IUPAC name of azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride (CID 173052639) is azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride.
What is the SMILES notation for azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride?
The canonical SMILES for azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride is CN[C@@H](C)Cc1ccccc1.Cl.ClCCl.N.O.
What is the InChIKey of azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride?
The InChIKey is QNKDXUBZDLRDAQ-ZWACTXNCSA-N. The full InChI is InChI=1S/C10H15N.CH2Cl2.ClH.H3N.H2O/c1-9(11-2)8-10-6-4-3-5-7-10;2-1-3;;;/h3-7,9,11H,8H2,1-2H3;1H2;1H;1H3;1H2/t9-;;;;/m0..../s1.
What are the key properties of azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride?
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride has a molecular weight of 305.68 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 173052639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).