4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol

C11H13Cl2NO — CID 171224819

IUPAC4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
SMILESC=CCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-3-4-10(14)7-5-8(12)11(15)9(13)6-7/h2,5-6,10,15H,1,3-4,14H2/t10-/m0/s1
InChIKeyJFWFUWVCVIVXTH-JTQLQIEISA-N
MW246.14 g/mol
LogP3.66
Rot. Bonds4

About 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol

4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol (PubChem CID 171224819) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
PubChem CID171224819
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
SMILESC=CCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-3-4-10(14)7-5-8(12)11(15)9(13)6-7/h2,5-6,10,15H,1,3-4,14H2/t10-/m0/s1
InChIKeyJFWFUWVCVIVXTH-JTQLQIEISA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
4-[(1S)-1-aminopent-4-enyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171235008
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
CID 103215445
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205225
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol?
The IUPAC name of 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol (CID 171224819) is 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol.
What is the SMILES notation for 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol?
The canonical SMILES for 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol is C=CCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol?
The InChIKey is JFWFUWVCVIVXTH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-3-4-10(14)7-5-8(12)11(15)9(13)6-7/h2,5-6,10,15H,1,3-4,14H2/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol?
4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol has a molecular weight of 246.14 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol is sourced from PubChem (CID 171224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).