2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine

C16H20ClN3O — CID 115530726

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccnc(C)n1
InChIInChI=1S/C16H20ClN3O/c1-4-18-15(14-7-8-19-11(2)20-14)10-12-9-13(17)5-6-16(12)21-3/h5-9,15,18H,4,10H2,1-3H3
InChIKeyDBWXNNUNMKSYHA-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.34
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530726) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530726
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccnc(C)n1
InChIInChI=1S/C16H20ClN3O/c1-4-18-15(14-7-8-19-11(2)20-14)10-12-9-13(17)5-6-16(12)21-3/h5-9,15,18H,4,10H2,1-3H3
InChIKeyDBWXNNUNMKSYHA-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
N-[2-(4-chloro-2-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 114856789
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755143
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600240
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530726) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1ccnc(C)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is DBWXNNUNMKSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-18-15(14-7-8-19-11(2)20-14)10-12-9-13(17)5-6-16(12)21-3/h5-9,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).