(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride

C8H9Cl2NO — CID 18642349

IUPAC(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride
SMILESCl.N[C@](Cl)(C=O)c1ccccc1
InChIInChI=1S/C8H8ClNO.ClH/c9-8(10,6-11)7-4-2-1-3-5-7;/h1-6H,10H2;1H/t8-;/m1./s1
InChIKeyOVGHMRQMWYZEKG-DDWIOCJRSA-N
MW206.07 g/mol
LogP1.66
Rot. Bonds2

About (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride

(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride (PubChem CID 18642349) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride
PubChem CID18642349
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride
SMILESCl.N[C@](Cl)(C=O)c1ccccc1
InChIInChI=1S/C8H8ClNO.ClH/c9-8(10,6-11)7-4-2-1-3-5-7;/h1-6H,10H2;1H/t8-;/m1./s1
InChIKeyOVGHMRQMWYZEKG-DDWIOCJRSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-chloro-2-phenylacetaldehyde;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

2,2-diphenylpropanedial
CID 15324204
4-[chloro(diphenyl)methyl]benzaldehyde
CID 175567585
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
2-phenyl-2,2-bis(sulfanyl)acetaldehyde
CID 90879722
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
benzene;2,2,2-trichloroacetaldehyde
CID 87588357
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
CID 67693696
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
(2S)-2-(4-aminophenyl)-2-chloro-2-phenylacetonitrile
CID 97304016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride?
The IUPAC name of (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride (CID 18642349) is (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride is Cl.N[C@](Cl)(C=O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride?
The InChIKey is OVGHMRQMWYZEKG-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-8(10,6-11)7-4-2-1-3-5-7;/h1-6H,10H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride?
(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride is sourced from PubChem (CID 18642349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).