(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol

C26H26NOP — CID 138732473

IUPAC(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol
SMILESC[C@H](NC[P@@](c1ccccc1)c1cccc2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C26H26NOP/c1-20(26(28)22-12-4-2-5-13-22)27-19-29(23-15-6-3-7-16-23)25-18-10-14-21-11-8-9-17-24(21)25/h2-18,20,26-28H,19H2,1H3/t20-,26?,29-/m0/s1
InChIKeyMHZJJZJTKAOBRK-WKKUJDEUSA-N
MW399.47 g/mol
LogP4.94
Rot. Bonds7

About (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol (PubChem CID 138732473) has the molecular formula C26H26NOP and a molecular weight of 399.47 g/mol. Its IUPAC name is (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol
PubChem CID138732473
Molecular FormulaC26H26NOP
Molecular Weight399.47 g/mol
Exact Mass399.18
IUPAC Name(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol
SMILESC[C@H](NC[P@@](c1ccccc1)c1cccc2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C26H26NOP/c1-20(26(28)22-12-4-2-5-13-22)27-19-29(23-15-6-3-7-16-23)25-18-10-14-21-11-8-9-17-24(21)25/h2-18,20,26-28H,19H2,1H3/t20-,26?,29-/m0/s1
InChIKeyMHZJJZJTKAOBRK-WKKUJDEUSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol (CID 138732473) is (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol is C[C@H](NC[P@@](c1ccccc1)c1cccc2ccccc12)C(O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol?
The InChIKey is MHZJJZJTKAOBRK-WKKUJDEUSA-N. The full InChI is InChI=1S/C26H26NOP/c1-20(26(28)22-12-4-2-5-13-22)27-19-29(23-15-6-3-7-16-23)25-18-10-14-21-11-8-9-17-24(21)25/h2-18,20,26-28H,19H2,1H3/t20-,26?,29-/m0/s1.
What are the key properties of (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol has a molecular weight of 399.47 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 138732473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).