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

C13H20ClNO2 — CID 17290477

IUPAC1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
SMILESC=CCOc1ccc(CNCC(C)O)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-3-8-16-13-6-4-12(5-7-13)10-14-9-11(2)15;/h3-7,11,14-15H,1,8-10H2,2H3;1H
InChIKeyRMYXIMMADYUEIG-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.14
Rot. Bonds7

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

1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride (PubChem CID 17290477) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
PubChem CID17290477
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
SMILESC=CCOc1ccc(CNCC(C)O)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-3-8-16-13-6-4-12(5-7-13)10-14-9-11(2)15;/h3-7,11,14-15H,1,8-10H2,2H3;1H
InChIKeyRMYXIMMADYUEIG-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.14
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

1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
CID 111425486
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383

Frequently Asked Questions

What is the IUPAC name of 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride (CID 17290477) is 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride is C=CCOc1ccc(CNCC(C)O)cc1.Cl.
What is the InChIKey of 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is RMYXIMMADYUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-3-8-16-13-6-4-12(5-7-13)10-14-9-11(2)15;/h3-7,11,14-15H,1,8-10H2,2H3;1H.
What are the key properties of 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride?
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17290477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).