(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine

C20H19ClNOP — CID 11566582

IUPAC(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine
SMILESC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClNOP/c1-16(17-12-14-18(21)15-13-17)22-24(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H,22,23)/t16-/m0/s1
InChIKeyHGWZIPCQJPYWCX-INIZCTEOSA-N
MW355.81 g/mol
LogP4.92
Rot. Bonds5

About (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine

(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine (PubChem CID 11566582) has the molecular formula C20H19ClNOP and a molecular weight of 355.81 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine
PubChem CID11566582
Molecular FormulaC20H19ClNOP
Molecular Weight355.81 g/mol
Exact Mass355.09
IUPAC Name(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine
SMILESC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClNOP/c1-16(17-12-14-18(21)15-13-17)22-24(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H,22,23)/t16-/m0/s1
InChIKeyHGWZIPCQJPYWCX-INIZCTEOSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine (CID 11566582) is (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine is C[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine?
The InChIKey is HGWZIPCQJPYWCX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClNOP/c1-16(17-12-14-18(21)15-13-17)22-24(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine?
(1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine has a molecular weight of 355.81 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-diphenylphosphorylethanamine is sourced from PubChem (CID 11566582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).