1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol

C16H24N2O2 — CID 79389368

IUPAC1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
SMILESCN(CCOc1ccc(C#CCN)cc1)CC(C)(C)O
InChIInChI=1S/C16H24N2O2/c1-16(2,19)13-18(3)11-12-20-15-8-6-14(7-9-15)5-4-10-17/h6-9,19H,10-13,17H2,1-3H3
InChIKeyDXMLNIPUELLWTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.08
Rot. Bonds6

About 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol

1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 79389368) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID79389368
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
SMILESCN(CCOc1ccc(C#CCN)cc1)CC(C)(C)O
InChIInChI=1S/C16H24N2O2/c1-16(2,19)13-18(3)11-12-20-15-8-6-14(7-9-15)5-4-10-17/h6-9,19H,10-13,17H2,1-3H3
InChIKeyDXMLNIPUELLWTP-UHFFFAOYSA-N
XLogP1.08
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 67854533
3-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66227177
3-[4-(3-ethylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 65095768
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
3-[4-(4-methylpentoxy)phenyl]prop-2-yn-1-amine
CID 83162144
3-(4-ethoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75480678
3-[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 82955918
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethoxy]benzenecarbothioamide
CID 79382237

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol (CID 79389368) is 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol is CN(CCOc1ccc(C#CCN)cc1)CC(C)(C)O.
What is the InChIKey of 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is DXMLNIPUELLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,19)13-18(3)11-12-20-15-8-6-14(7-9-15)5-4-10-17/h6-9,19H,10-13,17H2,1-3H3.
What are the key properties of 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol?
1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).