2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

C14H16ClN3O — CID 106868880

IUPAC2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(C)cc2Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-9-3-4-10(11(15)5-9)6-12(16)13-7-14(19-2)18-8-17-13/h3-5,7-8,12H,6,16H2,1-2H3
InChIKeyCRKZLULKZVBDOZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 106868880) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID106868880
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(C)cc2Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-9-3-4-10(11(15)5-9)6-12(16)13-7-14(19-2)18-8-17-13/h3-5,7-8,12H,6,16H2,1-2H3
InChIKeyCRKZLULKZVBDOZ-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950704
2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
CID 106868578
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 106868880) is 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is COc1cc(C(N)Cc2ccc(C)cc2Cl)ncn1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is CRKZLULKZVBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-3-4-10(11(15)5-9)6-12(16)13-7-14(19-2)18-8-17-13/h3-5,7-8,12H,6,16H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 277.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 106868880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).