5-chloro-2-(1,2-diaminoethyl)phenol

C8H11ClN2O — CID 55273354

IUPAC5-chloro-2-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1ccc(Cl)cc1O
InChIInChI=1S/C8H11ClN2O/c9-5-1-2-6(7(11)4-10)8(12)3-5/h1-3,7,12H,4,10-11H2
InChIKeyLDWXVTDBRMXOIC-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.00
Rot. Bonds2

About 5-chloro-2-(1,2-diaminoethyl)phenol

5-chloro-2-(1,2-diaminoethyl)phenol (PubChem CID 55273354) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-2-(1,2-diaminoethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-(1,2-diaminoethyl)phenol
PubChem CID55273354
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-chloro-2-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1ccc(Cl)cc1O
InChIInChI=1S/C8H11ClN2O/c9-5-1-2-6(7(11)4-10)8(12)3-5/h1-3,7,12H,4,10-11H2
InChIKeyLDWXVTDBRMXOIC-UHFFFAOYSA-N
XLogP1.00
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
1-(2-amino-4-chlorophenyl)ethane-1,2-diamine
CID 55270734
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
CID 13333883
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
4-amino-2-[(1S)-1,2-diaminoethyl]-5-fluorophenol
CID 55273541
2-bromo-3-chloro-6-[(1R)-1,2-diaminoethyl]phenol
CID 130863163
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,2-diaminoethyl)phenol?
The IUPAC name of 5-chloro-2-(1,2-diaminoethyl)phenol (CID 55273354) is 5-chloro-2-(1,2-diaminoethyl)phenol.
What is the SMILES notation for 5-chloro-2-(1,2-diaminoethyl)phenol?
The canonical SMILES for 5-chloro-2-(1,2-diaminoethyl)phenol is NCC(N)c1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(1,2-diaminoethyl)phenol?
The InChIKey is LDWXVTDBRMXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-5-1-2-6(7(11)4-10)8(12)3-5/h1-3,7,12H,4,10-11H2.
What are the key properties of 5-chloro-2-(1,2-diaminoethyl)phenol?
5-chloro-2-(1,2-diaminoethyl)phenol has a molecular weight of 186.64 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,2-diaminoethyl)phenol is sourced from PubChem (CID 55273354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).