(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol

C10H15ClN2O — CID 130707571

IUPAC(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-2-9(14)10(13)7-5-6(11)3-4-8(7)12/h3-5,9-10,14H,2,12-13H2,1H3/t9-,10+/m1/s1
InChIKeyQSDWDSUUTGZRRL-ZJUUUORDSA-N
MW214.70 g/mol
LogP1.69
Rot. Bonds3

About (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol

(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol (PubChem CID 130707571) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
PubChem CID130707571
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-2-9(14)10(13)7-5-6(11)3-4-8(7)12/h3-5,9-10,14H,2,12-13H2,1H3/t9-,10+/m1/s1
InChIKeyQSDWDSUUTGZRRL-ZJUUUORDSA-N
XLogP1.69
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.69
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,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171265300
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
CID 130893189
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)butan-2-ol
CID 171268543
(1S,2R)-1-amino-1-(2,3,5-trichlorophenyl)butan-2-ol
CID 131404134
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
2-[(1S,2R)-1-amino-2-hydroxybutyl]-4-chloro-6-methylphenol;hydrochloride
CID 171271266
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
CID 105453261
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol (CID 130707571) is (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol is CC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1N.
What is the InChIKey of (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol?
The InChIKey is QSDWDSUUTGZRRL-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-2-9(14)10(13)7-5-6(11)3-4-8(7)12/h3-5,9-10,14H,2,12-13H2,1H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol?
(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 1.69, 3 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-(2-amino-5-chlorophenyl)butan-2-ol is sourced from PubChem (CID 130707571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).