[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone

C15H16N2O2 — CID 116548333

IUPAC[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-7-13(9-17-10-14)15(18)12-5-3-11(8-16)4-6-12/h3-7,9-10H,2,8,16H2,1H3
InChIKeyCLPQTWJISLSQSL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.17
Rot. Bonds5

About [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone

[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone (PubChem CID 116548333) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
PubChem CID116548333
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-7-13(9-17-10-14)15(18)12-5-3-11(8-16)4-6-12/h3-7,9-10H,2,8,16H2,1H3
InChIKeyCLPQTWJISLSQSL-UHFFFAOYSA-N
XLogP2.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
CID 115793890
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine
CID 57143543
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone (CID 116548333) is [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone is CCOc1cncc(C(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone?
The InChIKey is CLPQTWJISLSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-14-7-13(9-17-10-14)15(18)12-5-3-11(8-16)4-6-12/h3-7,9-10H,2,8,16H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone?
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone has a molecular weight of 256.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116548333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).