5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol

C8H11ClN2O — CID 130770948

IUPAC5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
SMILESC[C@@H](N)c1cc(Cl)c(N)cc1O
InChIInChI=1S/C8H11ClN2O/c1-4(10)5-2-6(9)7(11)3-8(5)12/h2-4,12H,10-11H2,1H3/t4-/m1/s1
InChIKeyBPBYOWJEOXIABF-SCSAIBSYSA-N
MW186.64 g/mol
LogP1.65
Rot. Bonds1

About 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol

5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol (PubChem CID 130770948) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol.

Molecular Properties

Compound Name5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
PubChem CID130770948
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
SMILESC[C@@H](N)c1cc(Cl)c(N)cc1O
InChIInChI=1S/C8H11ClN2O/c1-4(10)5-2-6(9)7(11)3-8(5)12/h2-4,12H,10-11H2,1H3/t4-/m1/s1
InChIKeyBPBYOWJEOXIABF-SCSAIBSYSA-N
XLogP1.65
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
4-[(1R)-1-aminoethyl]-2-chloro-5-hydroxybenzonitrile
CID 130634457
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
CID 84681407
2-[(1S)-1-aminoethyl]-4,6-dichlorophenol;hydrochloride
CID 171217209
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
CID 130643013
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol?
The IUPAC name of 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol (CID 130770948) is 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol.
What is the SMILES notation for 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol?
The canonical SMILES for 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol is C[C@@H](N)c1cc(Cl)c(N)cc1O.
What is the InChIKey of 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol?
The InChIKey is BPBYOWJEOXIABF-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-4(10)5-2-6(9)7(11)3-8(5)12/h2-4,12H,10-11H2,1H3/t4-/m1/s1.
What are the key properties of 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol?
5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol has a molecular weight of 186.64 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol is sourced from PubChem (CID 130770948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).