1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol

C14H21NO2 — CID 54849083

IUPAC1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
SMILESC=C(C)COc1ccc(CNCC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-14-6-4-13(5-7-14)9-15-8-12(3)16/h4-7,12,15-16H,1,8-10H2,2-3H3
InChIKeySXIQTZAFDYPHET-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds7

About 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol

1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol (PubChem CID 54849083) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
PubChem CID54849083
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
SMILESC=C(C)COc1ccc(CNCC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-14-6-4-13(5-7-14)9-15-8-12(3)16/h4-7,12,15-16H,1,8-10H2,2-3H3
InChIKeySXIQTZAFDYPHET-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

1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849084
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
CID 82262496
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol (CID 54849083) is 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol is C=C(C)COc1ccc(CNCC(C)O)cc1.
What is the InChIKey of 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is SXIQTZAFDYPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-17-14-6-4-13(5-7-14)9-15-8-12(3)16/h4-7,12,15-16H,1,8-10H2,2-3H3.
What are the key properties of 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-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 1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 54849083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).