1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone

C17H20N2O2 — CID 62052107

IUPAC1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
SMILESCCN(Cc1ccncc1)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C17H20N2O2/c1-3-19(11-14-6-8-18-9-7-14)12-16-10-15(13(2)20)4-5-17(16)21/h4-10,21H,3,11-12H2,1-2H3
InChIKeySAQBKYWJIPEJJV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds6

About 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone

1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone (PubChem CID 62052107) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
PubChem CID62052107
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
SMILESCCN(Cc1ccncc1)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C17H20N2O2/c1-3-19(11-14-6-8-18-9-7-14)12-16-10-15(13(2)20)4-5-17(16)21/h4-10,21H,3,11-12H2,1-2H3
InChIKeySAQBKYWJIPEJJV-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052414
1-[3-[[ethyl(2-methylpropyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 43788374
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289162
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79712982
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone (CID 62052107) is 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone is CCN(Cc1ccncc1)Cc1cc(C(C)=O)ccc1O.
What is the InChIKey of 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
The InChIKey is SAQBKYWJIPEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(11-14-6-8-18-9-7-14)12-16-10-15(13(2)20)4-5-17(16)21/h4-10,21H,3,11-12H2,1-2H3.
What are the key properties of 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone?
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 62052107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).