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

C11H14Cl3NO — CID 171205248

IUPAC4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/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;1H/t10-;/m1./s1
InChIKeyNKFTWDCDXGWUHY-HNCPQSOCSA-N
MW282.60 g/mol
LogP4.09
Rot. Bonds4

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

4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride (PubChem CID 171205248) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
PubChem CID171205248
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/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;1H/t10-;/m1./s1
InChIKeyNKFTWDCDXGWUHY-HNCPQSOCSA-N
XLogP4.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 54.09
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-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
CID 171224819
4-[(1S)-1-aminopent-4-enyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171235008
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
CID 103215445
4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205225
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride (CID 171205248) is 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride is C=CCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride?
The InChIKey is NKFTWDCDXGWUHY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/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;1H/t10-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride?
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 171205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).