4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium

C10H13Cl2NO2P+ — CID 70152317

IUPAC4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2NO2P/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-16(14)15/h3-4,7,13H,1-2,5-6H2/p+1
InChIKeyZEOMBMPPCULFTM-UHFFFAOYSA-O
MW281.10 g/mol
LogP3.92
Rot. Bonds6

About 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium

4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium (PubChem CID 70152317) has the molecular formula C10H13Cl2NO2P+ and a molecular weight of 281.10 g/mol. Its IUPAC name is 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium
PubChem CID70152317
Molecular FormulaC10H13Cl2NO2P+
Molecular Weight281.10 g/mol
Exact Mass280.01
IUPAC Name4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2NO2P/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-16(14)15/h3-4,7,13H,1-2,5-6H2/p+1
InChIKeyZEOMBMPPCULFTM-UHFFFAOYSA-O
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
2,4-dichloro-N-decylaniline
CID 63489638
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
4-chloro-2-fluoro-N-heptylaniline
CID 43716552

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium?
The IUPAC name of 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium (CID 70152317) is 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium.
What is the SMILES notation for 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium?
The canonical SMILES for 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium is O=[P+](O)CCCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium?
The InChIKey is ZEOMBMPPCULFTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12Cl2NO2P/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-16(14)15/h3-4,7,13H,1-2,5-6H2/p+1.
What are the key properties of 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium?
4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium has a molecular weight of 281.10 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium is sourced from PubChem (CID 70152317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).