[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium

C14H14ClNO2P+ — CID 7005938

IUPAC[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)[C@H](NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClNO2P/c15-13-8-6-12(7-9-13)14(19(17)18)16-10-11-4-2-1-3-5-11/h1-9,14,16H,10H2/p+1/t14-/m0/s1
InChIKeyWFNKWUXREZLEST-AWEZNQCLSA-O
MW294.70 g/mol
LogP3.86
Rot. Bonds5

About [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium

[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium (PubChem CID 7005938) has the molecular formula C14H14ClNO2P+ and a molecular weight of 294.70 g/mol. Its IUPAC name is [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
PubChem CID7005938
Molecular FormulaC14H14ClNO2P+
Molecular Weight294.70 g/mol
Exact Mass294.04
IUPAC Name[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)[C@H](NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClNO2P/c15-13-8-6-12(7-9-13)14(19(17)18)16-10-11-4-2-1-3-5-11/h1-9,14,16H,10H2/p+1/t14-/m0/s1
InChIKeyWFNKWUXREZLEST-AWEZNQCLSA-O
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(benzylamino)-(2-hydroxyphenyl)methyl]-hydroxy-oxophosphanium
CID 6389571
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
(3R)-3-(benzylamino)-4-(4-chlorophenyl)butanoic acid
CID 69226473
(1R)-N-benzyl-1-(4-chlorophenyl)-1-[(2R)-thiiran-2-yl]methanamine
CID 132608354
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174

Frequently Asked Questions

What is the IUPAC name of [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium?
The IUPAC name of [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium (CID 7005938) is [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium is O=[P+](O)[C@H](NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium?
The InChIKey is WFNKWUXREZLEST-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H13ClNO2P/c15-13-8-6-12(7-9-13)14(19(17)18)16-10-11-4-2-1-3-5-11/h1-9,14,16H,10H2/p+1/t14-/m0/s1.
What are the key properties of [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium?
[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium has a molecular weight of 294.70 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 7005938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).