(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol

C10H15ClN2O — CID 131033842

IUPAC(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@@H](C)O)c(Cl)cc1N
InChIInChI=1S/C10H15ClN2O/c1-5-3-7(10(13)6(2)14)8(11)4-9(5)12/h3-4,6,10,14H,12-13H2,1-2H3/t6-,10-/m1/s1
InChIKeyZRAFBMVQMODWBV-LHLIQPBNSA-N
MW214.70 g/mol
LogP1.61
Rot. Bonds2

About (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol

(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol (PubChem CID 131033842) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
PubChem CID131033842
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@@H](C)O)c(Cl)cc1N
InChIInChI=1S/C10H15ClN2O/c1-5-3-7(10(13)6(2)14)8(11)4-9(5)12/h3-4,6,10,14H,12-13H2,1-2H3/t6-,10-/m1/s1
InChIKeyZRAFBMVQMODWBV-LHLIQPBNSA-N
XLogP1.61
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
1-(4-amino-2-chloro-5-methylphenyl)propane-1,2,3-triol
CID 170817875
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
1-(4-amino-2-chloro-5-methylphenyl)butane-1,2,4-triol
CID 171872317
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
CID 130749871
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol (CID 131033842) is (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol is Cc1cc([C@H](N)[C@@H](C)O)c(Cl)cc1N.
What is the InChIKey of (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol?
The InChIKey is ZRAFBMVQMODWBV-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-5-3-7(10(13)6(2)14)8(11)4-9(5)12/h3-4,6,10,14H,12-13H2,1-2H3/t6-,10-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol?
(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 131033842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).