(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol

C18H25N2O3P — CID 11876280

IUPAC(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
SMILESCC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccn1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)17-7-5-6-12-19-17)16-10-8-15(9-11-16)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24-/m1/s1
InChIKeyAIVBIMLPKQJCSA-HOYKHHGWSA-N
MW348.38 g/mol
LogP3.41
Rot. Bonds7

About (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol (PubChem CID 11876280) has the molecular formula C18H25N2O3P and a molecular weight of 348.38 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
PubChem CID11876280
Molecular FormulaC18H25N2O3P
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
SMILESCC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccn1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)17-7-5-6-12-19-17)16-10-8-15(9-11-16)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24-/m1/s1
InChIKeyAIVBIMLPKQJCSA-HOYKHHGWSA-N
XLogP3.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol
CID 663201
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
4-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol (CID 11876280) is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol is CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccn1.
What is the InChIKey of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol?
The InChIKey is AIVBIMLPKQJCSA-HOYKHHGWSA-N. The full InChI is InChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)17-7-5-6-12-19-17)16-10-8-15(9-11-16)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24-/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol?
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol has a molecular weight of 348.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol is sourced from PubChem (CID 11876280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).