benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid

C19H25ClNO3P — CID 19430085

IUPACbenzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid
SMILESCC(C)(NCC(O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClNO3P/c1-19(2,16-8-10-17(20)11-9-16)21-12-18(22)14-25(23,24)13-15-6-4-3-5-7-15/h3-11,18,21-22H,12-14H2,1-2H3,(H,23,24)
InChIKeyGJTMIYHQMPMTGW-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.00
Rot. Bonds8

About benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid

benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid (PubChem CID 19430085) has the molecular formula C19H25ClNO3P and a molecular weight of 381.84 g/mol. Its IUPAC name is benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid.

Molecular Properties

Compound Namebenzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid
PubChem CID19430085
Molecular FormulaC19H25ClNO3P
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC Namebenzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid
SMILESCC(C)(NCC(O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClNO3P/c1-19(2,16-8-10-17(20)11-9-16)21-12-18(22)14-25(23,24)13-15-6-4-3-5-7-15/h3-11,18,21-22H,12-14H2,1-2H3,(H,23,24)
InChIKeyGJTMIYHQMPMTGW-UHFFFAOYSA-N
XLogP4.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid?
The IUPAC name of benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid (CID 19430085) is benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid.
What is the SMILES notation for benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid?
The canonical SMILES for benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid is CC(C)(NCC(O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid?
The InChIKey is GJTMIYHQMPMTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClNO3P/c1-19(2,16-8-10-17(20)11-9-16)21-12-18(22)14-25(23,24)13-15-6-4-3-5-7-15/h3-11,18,21-22H,12-14H2,1-2H3,(H,23,24).
What are the key properties of benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid?
benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid has a molecular weight of 381.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid is sourced from PubChem (CID 19430085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).