2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine

C14H16ClN3O — CID 62600240

IUPAC2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)c1ncccn1
InChIInChI=1S/C14H16ClN3O/c1-16-12(14-17-6-3-7-18-14)9-10-8-11(15)4-5-13(10)19-2/h3-8,12,16H,9H2,1-2H3
InChIKeySDZZVWUUZUMLLT-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine (PubChem CID 62600240) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
PubChem CID62600240
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)c1ncccn1
InChIInChI=1S/C14H16ClN3O/c1-16-12(14-17-6-3-7-18-14)9-10-8-11(15)4-5-13(10)19-2/h3-8,12,16H,9H2,1-2H3
InChIKeySDZZVWUUZUMLLT-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755143
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115845077
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115844818
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203747
[1-(5-chloro-2-methoxyphenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199913
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine (CID 62600240) is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine is CNC(Cc1cc(Cl)ccc1OC)c1ncccn1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The InChIKey is SDZZVWUUZUMLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-16-12(14-17-6-3-7-18-14)9-10-8-11(15)4-5-13(10)19-2/h3-8,12,16H,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine has a molecular weight of 277.76 g/mol, XLogP of 2.64, 5 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-methyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).