3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol

C15H19NO2 — CID 66004348

IUPAC3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESC#CCOc1ccccc1CNCC1CC(O)C1
InChIInChI=1S/C15H19NO2/c1-2-7-18-15-6-4-3-5-13(15)11-16-10-12-8-14(17)9-12/h1,3-6,12,14,16-17H,7-11H2
InChIKeyOZUDIGQZRDFNSU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds6

About 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol

3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66004348) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66004348
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESC#CCOc1ccccc1CNCC1CC(O)C1
InChIInChI=1S/C15H19NO2/c1-2-7-18-15-6-4-3-5-13(15)11-16-10-12-8-14(17)9-12/h1,3-6,12,14,16-17H,7-11H2
InChIKeyOZUDIGQZRDFNSU-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
3-[[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270843
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28618409
1-(1-ethylpyrrolidin-2-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 43180690
1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 119108538

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol (CID 66004348) is 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol is C#CCOc1ccccc1CNCC1CC(O)C1.
What is the InChIKey of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is OZUDIGQZRDFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-7-18-15-6-4-3-5-13(15)11-16-10-12-8-14(17)9-12/h1,3-6,12,14,16-17H,7-11H2.
What are the key properties of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).