2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol

C11H14ClNO — CID 171217147

IUPAC2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
SMILESC=CCC[C@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m0/s1
InChIKeyJMAMFHAULRIZGG-JTQLQIEISA-N
MW211.69 g/mol
LogP3.01
Rot. Bonds4

About 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol

2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol (PubChem CID 171217147) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
PubChem CID171217147
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
SMILESC=CCC[C@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m0/s1
InChIKeyJMAMFHAULRIZGG-JTQLQIEISA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminopent-4-enyl]-4-chloroaniline
CID 171233858
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
CID 171203790
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
(1R)-1-(5-chloro-2-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171206412
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
CID 171219663
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol?
The IUPAC name of 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol (CID 171217147) is 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol.
What is the SMILES notation for 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol?
The canonical SMILES for 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol is C=CCC[C@H](N)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol?
The InChIKey is JMAMFHAULRIZGG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol?
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol has a molecular weight of 211.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol is sourced from PubChem (CID 171217147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).