[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride

C10H14ClNO — CID 11333113

IUPAC[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride
SMILES[Cl-].[NH2+]=C[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H13NO.ClH/c11-8-10(12)7-6-9-4-2-1-3-5-9;/h1-5,8,10-12H,6-7H2;1H/t10-;/m1./s1
InChIKeyUPNFZRGXNDVVJE-HNCPQSOCSA-N
MW199.68 g/mol
LogP-3.19
Rot. Bonds4

About [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride

[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride (PubChem CID 11333113) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride.

Molecular Properties

Compound Name[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride
PubChem CID11333113
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride
SMILES[Cl-].[NH2+]=C[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H13NO.ClH/c11-8-10(12)7-6-9-4-2-1-3-5-9;/h1-5,8,10-12H,6-7H2;1H/t10-;/m1./s1
InChIKeyUPNFZRGXNDVVJE-HNCPQSOCSA-N
XLogP-3.19
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 5-3.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-hydroxyimino-1-phenylethanol
CID 13332651
1-Amino-4-phenylbutan-2-ol
CID 15760987
5-(2-Phenylethyl)-4,5-dihydro-1,2-oxazole
CID 22321566
(2R)-1-amino-4-phenylbutan-2-ol
CID 22880873
(2S)-1-amino-4-phenylbutan-2-ol
CID 53230508
z-Mandelaldoxime
CID 101736331
Hydroxyphenylacetaldoxime
CID 129633081
5-Benzylisoxazoline
CID 129754876
3-(4-Fluorophenyl)-2-iminopropan-1-ol
CID 58458935
1-(3,4-Difluorophenyl)-3-hydroxyiminopropan-2-ol
CID 173232415
3-(2-Fluorophenyl)-5-imino-3-methylpentan-1-ol
CID 174322160
(1S,2E)-2-methoxyimino-1-phenylethanol
CID 133673321

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride?
The IUPAC name of [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride (CID 11333113) is [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride.
What is the SMILES notation for [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride?
The canonical SMILES for [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride is [Cl-].[NH2+]=C[C@H](O)CCc1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride?
The InChIKey is UPNFZRGXNDVVJE-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c11-8-10(12)7-6-9-4-2-1-3-5-9;/h1-5,8,10-12H,6-7H2;1H/t10-;/m1./s1.
What are the key properties of [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride?
[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride has a molecular weight of 199.68 g/mol, XLogP of -3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride is sourced from PubChem (CID 11333113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).