1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

C15H19N3O — CID 62748905

IUPAC1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCCOc1ccc(C(C)NCc2ccncn2)cc1
InChIInChI=1S/C15H19N3O/c1-3-19-15-6-4-13(5-7-15)12(2)17-10-14-8-9-16-11-18-14/h4-9,11-12,17H,3,10H2,1-2H3
InChIKeySBPUWSMVOVSTKO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62748905) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62748905
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCCOc1ccc(C(C)NCc2ccncn2)cc1
InChIInChI=1S/C15H19N3O/c1-3-19-15-6-4-13(5-7-15)12(2)17-10-14-8-9-16-11-18-14/h4-9,11-12,17H,3,10H2,1-2H3
InChIKeySBPUWSMVOVSTKO-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
ethyl 2-(pyrimidin-4-ylmethylamino)propanoate
CID 62749095
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62748905) is 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is CCOc1ccc(C(C)NCc2ccncn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is SBPUWSMVOVSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-15-6-4-13(5-7-15)12(2)17-10-14-8-9-16-11-18-14/h4-9,11-12,17H,3,10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62748905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).