(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol

C18H25N2O3P — CID 11860720

IUPAC(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
SMILESCC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-6-5-11-19-12-15)17-9-7-16(8-10-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m0/s1
InChIKeyFWSCBLCZMLOYER-MHECFPHRSA-N
MW348.38 g/mol
LogP3.41
Rot. Bonds7

About (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol

(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol (PubChem CID 11860720) has the molecular formula C18H25N2O3P and a molecular weight of 348.38 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
PubChem CID11860720
Molecular FormulaC18H25N2O3P
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
SMILESCC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-6-5-11-19-12-15)17-9-7-16(8-10-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m0/s1
InChIKeyFWSCBLCZMLOYER-MHECFPHRSA-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

(R)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-pyridin-3-ylmethanol
CID 11860680
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
4-[[(R)-anilino(pyridin-3-yl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 11863002
4-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
4-[[(R)-anilino(pyridin-3-yl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 11863119
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol (CID 11860720) is (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol is CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol?
The InChIKey is FWSCBLCZMLOYER-MHECFPHRSA-N. The full InChI is InChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-6-5-11-19-12-15)17-9-7-16(8-10-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol?
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-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 (S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol is sourced from PubChem (CID 11860720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).