(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid

C17H20Cl2NO3P — CID 19430123

IUPAC(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid
SMILESO=P(O)(Cc1ccc(Cl)cc1)CC(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2NO3P/c18-15-5-1-13(2-6-15)9-20-10-17(21)12-24(22,23)11-14-3-7-16(19)8-4-14/h1-8,17,20-21H,9-12H2,(H,22,23)
InChIKeyMLEZXJMWOIHWDM-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.91
Rot. Bonds8

About (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid

(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid (PubChem CID 19430123) has the molecular formula C17H20Cl2NO3P and a molecular weight of 388.23 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid
PubChem CID19430123
Molecular FormulaC17H20Cl2NO3P
Molecular Weight388.23 g/mol
Exact Mass387.06
IUPAC Name(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid
SMILESO=P(O)(Cc1ccc(Cl)cc1)CC(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2NO3P/c18-15-5-1-13(2-6-15)9-20-10-17(21)12-24(22,23)11-14-3-7-16(19)8-4-14/h1-8,17,20-21H,9-12H2,(H,22,23)
InChIKeyMLEZXJMWOIHWDM-UHFFFAOYSA-N
XLogP3.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-[(3,4-dichlorophenyl)methylamino]-2-hydroxypropyl]-[(4-methylphenyl)methyl]phosphinic acid;hydrochloride
CID 67764497
[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]-(4-methoxycyclohexyl)phosphinic acid
CID 23177712
benzyl-[3-[2-(4-chlorophenyl)propan-2-ylamino]-2-hydroxypropyl]phosphinic acid
CID 19430085
benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
CID 68889920
benzyl-[(2S)-3-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]phosphinic acid
CID 18658127
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
[2-hydroxy-3-[(4-nonylphenyl)methylamino]propyl]phosphonic acid
CID 59691795
benzyl-[(2S)-3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
CID 18658145
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid?
The IUPAC name of (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid (CID 19430123) is (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid.
What is the SMILES notation for (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid?
The canonical SMILES for (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid is O=P(O)(Cc1ccc(Cl)cc1)CC(O)CNCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid?
The InChIKey is MLEZXJMWOIHWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2NO3P/c18-15-5-1-13(2-6-15)9-20-10-17(21)12-24(22,23)11-14-3-7-16(19)8-4-14/h1-8,17,20-21H,9-12H2,(H,22,23).
What are the key properties of (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid?
(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid has a molecular weight of 388.23 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid is sourced from PubChem (CID 19430123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).