2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol

C14H21NO2 — CID 2958853

IUPAC2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
SMILESC=CCOc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-13-7-5-12(6-8-13)10-15-14(2,3)11-16/h4-8,15-16H,1,9-11H2,2-3H3
InChIKeyIRAAOEWMBSIMPG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds7

About 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol

2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol (PubChem CID 2958853) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
PubChem CID2958853
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
SMILESC=CCOc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-13-7-5-12(6-8-13)10-15-14(2,3)11-16/h4-8,15-16H,1,9-11H2,2-3H3
InChIKeyIRAAOEWMBSIMPG-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
(1,3-dihydroxy-2-methylpropan-2-yl)-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 7959380
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
CID 43743087
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
tert-butyl N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]carbamate
CID 103740145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol (CID 2958853) is 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol is C=CCOc1ccc(CNC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol?
The InChIKey is IRAAOEWMBSIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-17-13-7-5-12(6-8-13)10-15-14(2,3)11-16/h4-8,15-16H,1,9-11H2,2-3H3.
What are the key properties of 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol?
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 2958853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).