2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol

C9H10ClNO — CID 130645432

IUPAC2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
SMILESC=C[C@H](N)c1cccc(Cl)c1O
InChIInChI=1S/C9H10ClNO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m0/s1
InChIKeyWHHILJZQAMJLBB-QMMMGPOBSA-N
MW183.64 g/mol
LogP2.23
Rot. Bonds2

About 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol

2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol (PubChem CID 130645432) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol.

Molecular Properties

Compound Name2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
PubChem CID130645432
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
SMILESC=C[C@H](N)c1cccc(Cl)c1O
InChIInChI=1S/C9H10ClNO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m0/s1
InChIKeyWHHILJZQAMJLBB-QMMMGPOBSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.23
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

3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
(1S)-1-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171203034
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
CID 131335401
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride
CID 171312352

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol?
The IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol (CID 130645432) is 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol.
What is the SMILES notation for 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol?
The canonical SMILES for 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol is C=C[C@H](N)c1cccc(Cl)c1O.
What is the InChIKey of 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol?
The InChIKey is WHHILJZQAMJLBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol?
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol has a molecular weight of 183.64 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol is sourced from PubChem (CID 130645432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).