(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine

C18H24NO3P — CID 134924285

IUPAC(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24NO3P/c1-15(2)18(19)23(20,21-13-16-9-5-3-6-10-16)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14,19H2,1-2H3/t18-/m0/s1
InChIKeyYURXSVJDSPEVMB-SFHVURJKSA-N
MW333.37 g/mol
LogP4.55
Rot. Bonds8

About (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine

(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine (PubChem CID 134924285) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
PubChem CID134924285
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24NO3P/c1-15(2)18(19)23(20,21-13-16-9-5-3-6-10-16)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14,19H2,1-2H3/t18-/m0/s1
InChIKeyYURXSVJDSPEVMB-SFHVURJKSA-N
XLogP4.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine (CID 134924285) is (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine is CC(C)[C@@H](N)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine?
The InChIKey is YURXSVJDSPEVMB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-15(2)18(19)23(20,21-13-16-9-5-3-6-10-16)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14,19H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine?
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine has a molecular weight of 333.37 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine is sourced from PubChem (CID 134924285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).