(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol

C9H12Cl2N2O — CID 130692934

IUPAC(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
SMILESNc1c(Cl)cc(Cl)cc1[C@H](N)CCO
InChIInChI=1S/C9H12Cl2N2O/c10-5-3-6(8(12)1-2-14)9(13)7(11)4-5/h3-4,8,14H,1-2,12-13H2/t8-/m1/s1
InChIKeyVMOYOTLNXJPJMG-MRVPVSSYSA-N
MW235.11 g/mol
LogP1.96
Rot. Bonds3

About (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol

(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol (PubChem CID 130692934) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
PubChem CID130692934
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
SMILESNc1c(Cl)cc(Cl)cc1[C@H](N)CCO
InChIInChI=1S/C9H12Cl2N2O/c10-5-3-6(8(12)1-2-14)9(13)7(11)4-5/h3-4,8,14H,1-2,12-13H2/t8-/m1/s1
InChIKeyVMOYOTLNXJPJMG-MRVPVSSYSA-N
XLogP1.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol 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

(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
1-(2-amino-3,5-dichlorophenyl)-4-bromobutane-1,2-diol
CID 171892078
4-[(1S)-1-amino-3-hydroxypropyl]-3-chlorobenzonitrile
CID 130744262
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol (CID 130692934) is (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol is Nc1c(Cl)cc(Cl)cc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol?
The InChIKey is VMOYOTLNXJPJMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c10-5-3-6(8(12)1-2-14)9(13)7(11)4-5/h3-4,8,14H,1-2,12-13H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol?
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol has a molecular weight of 235.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 130692934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).