4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride

C9H10Cl3NO — CID 171205225

IUPAC4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
SMILESC=C[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c1-2-8(12)5-3-6(10)9(13)7(11)4-5;/h2-4,8,13H,1,12H2;1H/t8-;/m1./s1
InChIKeyCASLZNYXYGIQAC-DDWIOCJRSA-N
MW254.54 g/mol
LogP3.31
Rot. Bonds2

About 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride

4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride (PubChem CID 171205225) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
PubChem CID171205225
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
SMILESC=C[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c1-2-8(12)5-3-6(10)9(13)7(11)4-5;/h2-4,8,13H,1,12H2;1H/t8-;/m1./s1
InChIKeyCASLZNYXYGIQAC-DDWIOCJRSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
4-[(1S)-1-aminoprop-2-enyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219306
4-[(1S)-1-aminoprop-2-enyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217313
4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
CID 171224819
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride (CID 171205225) is 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride is C=C[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride?
The InChIKey is CASLZNYXYGIQAC-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c1-2-8(12)5-3-6(10)9(13)7(11)4-5;/h2-4,8,13H,1,12H2;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride?
4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 171205225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).