(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol

C9H13ClN2O — CID 130778347

IUPAC(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5?,9-/m1/s1
InChIKeyAMJNEORASHKPQV-OLAZFDQMSA-N
MW200.67 g/mol
LogP1.30
Rot. Bonds2

About (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol

(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol (PubChem CID 130778347) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
PubChem CID130778347
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5?,9-/m1/s1
InChIKeyAMJNEORASHKPQV-OLAZFDQMSA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.30
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,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(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
(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
CID 130707571
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171265300
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol (CID 130778347) is (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol is CC(O)[C@@H](N)c1cc(Cl)ccc1N.
What is the InChIKey of (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol?
The InChIKey is AMJNEORASHKPQV-OLAZFDQMSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol?
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol has a molecular weight of 200.67 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol is sourced from PubChem (CID 130778347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).