2-[(3-ethenoxypropylamino)methyl]phenol

C12H17NO2 — CID 28725894

IUPAC2-[(3-ethenoxypropylamino)methyl]phenol
SMILESC=COCCCNCc1ccccc1O
InChIInChI=1S/C12H17NO2/c1-2-15-9-5-8-13-10-11-6-3-4-7-12(11)14/h2-4,6-7,13-14H,1,5,8-10H2
InChIKeyVOAYYGCYYWYNAM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.03
Rot. Bonds7

About 2-[(3-ethenoxypropylamino)methyl]phenol

2-[(3-ethenoxypropylamino)methyl]phenol (PubChem CID 28725894) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(3-ethenoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(3-ethenoxypropylamino)methyl]phenol
PubChem CID28725894
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(3-ethenoxypropylamino)methyl]phenol
SMILESC=COCCCNCc1ccccc1O
InChIInChI=1S/C12H17NO2/c1-2-15-9-5-8-13-10-11-6-3-4-7-12(11)14/h2-4,6-7,13-14H,1,5,8-10H2
InChIKeyVOAYYGCYYWYNAM-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethenoxypropan-1-amine
CID 43583752
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
CID 80649994
N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725701
2-[(3-fluoropropylamino)methyl]phenol
CID 115733014
3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate
CID 69343341
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725705
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-ethenoxypropan-1-amine
CID 64508814
2-[5-[(3-ethenoxypropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894996

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethenoxypropylamino)methyl]phenol?
The IUPAC name of 2-[(3-ethenoxypropylamino)methyl]phenol (CID 28725894) is 2-[(3-ethenoxypropylamino)methyl]phenol.
What is the SMILES notation for 2-[(3-ethenoxypropylamino)methyl]phenol?
The canonical SMILES for 2-[(3-ethenoxypropylamino)methyl]phenol is C=COCCCNCc1ccccc1O.
What is the InChIKey of 2-[(3-ethenoxypropylamino)methyl]phenol?
The InChIKey is VOAYYGCYYWYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-9-5-8-13-10-11-6-3-4-7-12(11)14/h2-4,6-7,13-14H,1,5,8-10H2.
What are the key properties of 2-[(3-ethenoxypropylamino)methyl]phenol?
2-[(3-ethenoxypropylamino)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethenoxypropylamino)methyl]phenol is sourced from PubChem (CID 28725894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).