bis[4-(butylamino)phenyl]phosphinic acid

C20H29N2O2P — CID 139517434

IUPACbis[4-(butylamino)phenyl]phosphinic acid
SMILESCCCCNc1ccc(P(=O)(O)c2ccc(NCCCC)cc2)cc1
InChIInChI=1S/C20H29N2O2P/c1-3-5-15-21-17-7-11-19(12-8-17)25(23,24)20-13-9-18(10-14-20)22-16-6-4-2/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,23,24)
InChIKeyMGMFOJILVPJZOA-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.33
Rot. Bonds10

About bis[4-(butylamino)phenyl]phosphinic acid

bis[4-(butylamino)phenyl]phosphinic acid (PubChem CID 139517434) has the molecular formula C20H29N2O2P and a molecular weight of 360.44 g/mol. Its IUPAC name is bis[4-(butylamino)phenyl]phosphinic acid.

Molecular Properties

Compound Namebis[4-(butylamino)phenyl]phosphinic acid
PubChem CID139517434
Molecular FormulaC20H29N2O2P
Molecular Weight360.44 g/mol
Exact Mass360.20
IUPAC Namebis[4-(butylamino)phenyl]phosphinic acid
SMILESCCCCNc1ccc(P(=O)(O)c2ccc(NCCCC)cc2)cc1
InChIInChI=1S/C20H29N2O2P/c1-3-5-15-21-17-7-11-19(12-8-17)25(23,24)20-13-9-18(10-14-20)22-16-6-4-2/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,23,24)
InChIKeyMGMFOJILVPJZOA-UHFFFAOYSA-N
XLogP4.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[4-(propylamino)phenyl]phosphonic acid
CID 3029986
N-pentyl-4-(propylamino)benzamide
CID 62185567
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
2-[4-(butylamino)phenyl]-N-methylacetamide
CID 43714159
4-butoxy-N-butylaniline
CID 15112153
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-ethylsulfonyl-N-pentylaniline
CID 43453358
bis(4-propylphenyl)phosphinic acid
CID 135350466
N-ethyl-4-(hexylamino)benzamide
CID 43728484
4-(pentylamino)benzenesulfinic acid
CID 68856281
4-(pentylamino)benzoate
CID 53422656

Frequently Asked Questions

What is the IUPAC name of bis[4-(butylamino)phenyl]phosphinic acid?
The IUPAC name of bis[4-(butylamino)phenyl]phosphinic acid (CID 139517434) is bis[4-(butylamino)phenyl]phosphinic acid.
What is the SMILES notation for bis[4-(butylamino)phenyl]phosphinic acid?
The canonical SMILES for bis[4-(butylamino)phenyl]phosphinic acid is CCCCNc1ccc(P(=O)(O)c2ccc(NCCCC)cc2)cc1.
What is the InChIKey of bis[4-(butylamino)phenyl]phosphinic acid?
The InChIKey is MGMFOJILVPJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N2O2P/c1-3-5-15-21-17-7-11-19(12-8-17)25(23,24)20-13-9-18(10-14-20)22-16-6-4-2/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,23,24).
What are the key properties of bis[4-(butylamino)phenyl]phosphinic acid?
bis[4-(butylamino)phenyl]phosphinic acid has a molecular weight of 360.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(butylamino)phenyl]phosphinic acid is sourced from PubChem (CID 139517434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).