2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol

C14H21NO3 — CID 7935968

IUPAC2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
SMILESC=CCOc1ccccc1CNC(C)(CO)CO
InChIInChI=1S/C14H21NO3/c1-3-8-18-13-7-5-4-6-12(13)9-15-14(2,10-16)11-17/h3-7,15-17H,1,8-11H2,2H3
InChIKeyOGRXPYDLFFUIJL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds8

About 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol

2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol (PubChem CID 7935968) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
PubChem CID7935968
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
SMILESC=CCOc1ccccc1CNC(C)(CO)CO
InChIInChI=1S/C14H21NO3/c1-3-8-18-13-7-5-4-6-12(13)9-15-14(2,10-16)11-17/h3-7,15-17H,1,8-11H2,2H3
InChIKeyOGRXPYDLFFUIJL-UHFFFAOYSA-N
XLogP1.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 115664554
tert-butyl N-[(2-prop-2-enoxyphenyl)methylamino]carbamate
CID 107236651
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983308
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol (CID 7935968) is 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol is C=CCOc1ccccc1CNC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol?
The InChIKey is OGRXPYDLFFUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-8-18-13-7-5-4-6-12(13)9-15-14(2,10-16)11-17/h3-7,15-17H,1,8-11H2,2H3.
What are the key properties of 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol?
2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol has a molecular weight of 251.33 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 7935968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).