2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine

C15H19N3O — CID 116833839

IUPAC2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine
SMILESCCc1ccc(OC)c(C(CN)c2ncccn2)c1
InChIInChI=1S/C15H19N3O/c1-3-11-5-6-14(19-2)12(9-11)13(10-16)15-17-7-4-8-18-15/h4-9,13H,3,10,16H2,1-2H3
InChIKeyQOXCGMNTRBBUOY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds5

About 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine

2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine (PubChem CID 116833839) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine
PubChem CID116833839
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine
SMILESCCc1ccc(OC)c(C(CN)c2ncccn2)c1
InChIInChI=1S/C15H19N3O/c1-3-11-5-6-14(19-2)12(9-11)13(10-16)15-17-7-4-8-18-15/h4-9,13H,3,10,16H2,1-2H3
InChIKeyQOXCGMNTRBBUOY-UHFFFAOYSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 66730972
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine (CID 116833839) is 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine is CCc1ccc(OC)c(C(CN)c2ncccn2)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The InChIKey is QOXCGMNTRBBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-5-6-14(19-2)12(9-11)13(10-16)15-17-7-4-8-18-15/h4-9,13H,3,10,16H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 116833839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).