2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol

C14H19NO2 — CID 103701805

IUPAC2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
SMILESC#CCCCNCc1cccc(OCC)c1O
InChIInChI=1S/C14H19NO2/c1-3-5-6-10-15-11-12-8-7-9-13(14(12)16)17-4-2/h1,7-9,15-16H,4-6,10-11H2,2H3
InChIKeyBGZGAGKKAWBPGV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds7

About 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol

2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol (PubChem CID 103701805) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
PubChem CID103701805
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
SMILESC#CCCCNCc1cccc(OCC)c1O
InChIInChI=1S/C14H19NO2/c1-3-5-6-10-15-11-12-8-7-9-13(14(12)16)17-4-2/h1,7-9,15-16H,4-6,10-11H2,2H3
InChIKeyBGZGAGKKAWBPGV-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701806
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
CID 43551896
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602924
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol (CID 103701805) is 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol is C#CCCCNCc1cccc(OCC)c1O.
What is the InChIKey of 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol?
The InChIKey is BGZGAGKKAWBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-6-10-15-11-12-8-7-9-13(14(12)16)17-4-2/h1,7-9,15-16H,4-6,10-11H2,2H3.
What are the key properties of 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol?
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol has a molecular weight of 233.31 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol is sourced from PubChem (CID 103701805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).