[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol

C13H22NO2P — CID 59132076

IUPAC[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol
SMILESCN(CCCP(C)(C)=O)c1cccc(CO)c1
InChIInChI=1S/C13H22NO2P/c1-14(8-5-9-17(2,3)16)13-7-4-6-12(10-13)11-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3
InChIKeyUFPKOSWFMMEEEW-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.63
Rot. Bonds6

About [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol

[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol (PubChem CID 59132076) has the molecular formula C13H22NO2P and a molecular weight of 255.30 g/mol. Its IUPAC name is [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol
PubChem CID59132076
Molecular FormulaC13H22NO2P
Molecular Weight255.30 g/mol
Exact Mass255.14
IUPAC Name[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol
SMILESCN(CCCP(C)(C)=O)c1cccc(CO)c1
InChIInChI=1S/C13H22NO2P/c1-14(8-5-9-17(2,3)16)13-7-4-6-12(10-13)11-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3
InChIKeyUFPKOSWFMMEEEW-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[methyl-[2-(methylamino)ethyl]amino]phenyl]methanol
CID 143612778
2-[3-(hydroxymethyl)-N-methylanilino]acetonitrile
CID 130605488
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
methyl 2-[2-[[3-(hydroxymethyl)-N-methylanilino]methyl]phenyl]acetate
CID 86781702
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995
3-chloropropyl-[3-(hydroxymethyl)phenyl]carbamic acid
CID 67447912
N-butyl-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 18736126
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
CID 57177838
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
N,3-diethyl-N-methylaniline
CID 131018542

Frequently Asked Questions

What is the IUPAC name of [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol?
The IUPAC name of [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol (CID 59132076) is [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol is CN(CCCP(C)(C)=O)c1cccc(CO)c1.
What is the InChIKey of [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol?
The InChIKey is UFPKOSWFMMEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2P/c1-14(8-5-9-17(2,3)16)13-7-4-6-12(10-13)11-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3.
What are the key properties of [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol?
[3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol has a molecular weight of 255.30 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-dimethylphosphorylpropyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 59132076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).