1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C14H16ClN3O — CID 105032260

IUPAC1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1nccnc1OC
InChIInChI=1S/C14H16ClN3O/c1-9-6-10(8-11(15)7-9)12(16-2)13-14(19-3)18-5-4-17-13/h4-8,12,16H,1-3H3
InChIKeyDYGIFRDTZVLBKZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105032260) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105032260
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1nccnc1OC
InChIInChI=1S/C14H16ClN3O/c1-9-6-10(8-11(15)7-9)12(16-2)13-14(19-3)18-5-4-17-13/h4-8,12,16H,1-3H3
InChIKeyDYGIFRDTZVLBKZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031892
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 114022188
[(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332579
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105178666
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 105032260) is 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Cl)c1)c1nccnc1OC.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is DYGIFRDTZVLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-10(8-11(15)7-9)12(16-2)13-14(19-3)18-5-4-17-13/h4-8,12,16H,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 277.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105032260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).